Water

Water

SCHEMBL5350

Cc1ccc(S(=O)(=O)O)cc1.O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
TSHR P16473 2/20 0.54
CA12 O43570 1/20 0.54
CA3 P07451 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
NT5E P21589 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL5512184 1.00 GAA (0.59) GAALMNAALDH1A1SMN1; SMN2TDP1
Water SCHEMBL31139173 1.00 GAA (0.59) GAALMNAALDH1A1SMN1; SMN2TDP1
Water SCHEMBL4069335 1.00 GAA (0.59) GAALMNAALDH1A1SMN1; SMN2TDP1
Water SCHEMBL16460263 1.00 GAA (0.59) GAALMNAALDH1A1SMN1; SMN2TDP1
Water SCHEMBL1160667 1.00 GAA (0.59) GAALMNAALDH1A1SMN1; SMN2TDP1
Water SCHEMBL214962 1.00 GAA (0.59) GAALMNAALDH1A1SMN1; SMN2TDP1
Water SCHEMBL28246842 1.00 GAA (0.59) GAALMNAALDH1A1SMN1; SMN2TDP1
Water SCHEMBL6305540 0.97 GAA (0.56) GAALMNAALDH1A1SMN1; SMN2TDP1
Methyl Alcohol SCHEMBL8799286 0.97 GAA (0.56) GAALMNAALDH1A1SMN1; SMN2TDP1
Water SCHEMBL21836188 0.97 GAA (0.56) GAALMNAALDH1A1SMN1; SMN2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 58079 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117623877-B Cardanol bisphenol and preparation method and application thereof CHANGSHU NAISU BIOLOGICAL MATERIAL TECHNOLOGY CO.,LTD. (CN) 2026-05-26 CN claimed
CN-122070479-A Ultrasonic indicating device and method for monitoring ultrasonic treatment JP实验室股份有限公司 2026-05-19 CN claimed
CN-119735282-B PAM/COF composite material for treating dye wastewater and preparation method thereof 塔里木大学 2026-05-19 CN claimed
CN-122037234-A Temperature-sensitive hydrogel with double-network structure and preparation method and application thereof 安徽理工大学 2026-05-15 CN claimed
CN-122055370-A And cyclic nitrogen-containing compound, crystal form thereof, preparation method and application thereof 杭州圣域生物医药科技有限公司 2026-05-15 CN claimed
CN-122010958-A Synthesis method of natural product Pyrroloazocine indole alkaloid skeleton 中国医学科学院药物研究所 2026-05-12 CN claimed
CN-122011886-A Metal surface anticorrosive paint and preparation method thereof 深圳市易植医疗科技有限公司 2026-05-12 CN claimed
EP-4429642-B1 NIRAPARIB PARTICLES AND USES THEREOF CRITITECH INC (US) 2026-04-29 EP claimed
EP-4725491-A1 FGFR4 INHIBITOR COMPOSITION, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2026-04-15 EP claimed
US-20260098048-A1 IMPROVED PROCESS FOR THE PREPARATION OF RISDIPLAM AND ITS INTERMEDIATES NATCO PHARMA LTD (IN) 2026-04-09 US claimed
US-4910327-A Reacting a corresponding aromatic primary amine with a ketoester AMERICAN CYANAMID COMPANY (US) 1990-03-20 US claimed
EP-0339854-A2 Synthesis of N-t-alkyl-1,2-diacylhydrazines ROHM AND HAAS COMPANY (US) 1989-11-02 EP claimed
EP-0305860-A1 Polyphenylene ether amine salts, flame retardant extrudate of blends thereof and method of making GENERAL ELECTRIC COMPANY (US) 1989-03-08 EP claimed
US-4782165-A BUNTE SALT PFIZER INC. (US) 1988-11-01 US claimed
WO-1986002069-A1 BIOTIN INTERMEDIATES AND PROCESS THEREFOR PFIZER INC. (US) 1986-04-10 WO claimed
US-4429112-A Process of delaying cure of curable resin composition containing cyanate ester compound with benzene sulfonic acid compound MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1984-01-31 US claimed
US-4179464-A Preparation of N-(phosphonoacetyl)-L-aspartic acid SCHULTZ ROBERT J 1979-12-18 US claimed
US-4152198-A WATERPROOFING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1979-05-01 US claimed
US-4127568-A Process for 3β-aminoazetidin-2-ones ELI LILLY AND COMPANY (US) 1978-11-28 US claimed
US-3994878-A Syntheses of 24R,25- and 24S,25-dihydroxycholesterol and alkanoyl derivatives thereof HOFFMANN-LA ROCHE INC. (US) 1976-11-30 US claimed