SCHEMBL62549

SCHEMBL62549

Nc1nc(NCO)nc(N(CO)CO)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GPR68 Q15743 3/20 0.33
ADORA2A P29274 2/20 0.33
HTR2B P41595 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.30
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
CDK9 P50750 1/20 0.30
RAB9A P51151 1/20 0.30
CDK5 Q00535 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
CDK5R1 Q15078 1/20 0.30

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
Hydrochloric Acid SCHEMBL11651773 0.98 ALDH1A1 (0.34) ALDH1A1GPR68ADORA2AHTR2BCYP1A2
Formaldehyde SCHEMBL8433631 0.95 ALDH1A1 (0.35) ALDH1A1GPR68ADORA2AHTR2B
Bicarbonate SCHEMBL9652070 0.93 ALDH1A1 (0.35) ALDH1A1GPR68ADORA2AHTR2BCYP1A2
SCHEMBL11816505 0.93 CYP1A2 (0.32) GPR68ADORA2AHTR2BCYP1A2GAA
SCHEMBL28223407 0.93 GPR68 (0.33) GPR68ADORA2AHTR2BKDM4EMAPT
SCHEMBL5092522 0.92 ALDH1A1 (0.34) ALDH1A1GPR68ADORA2AHTR2BCYP1A2
SCHEMBL60870 0.86 GAA (0.32) CYP1A2GAACYP2C19L3MBTL1KDM4E
SCHEMBL62455 0.86 GAA (0.36) CYP1A2GAACYP2C19L3MBTL1KDM4E
SCHEMBL11319118 0.86 ALDH1A1 (0.33) ALDH1A1GAA
SCHEMBL762277 0.84 ALDH1A1 (0.30) ALDH1A1

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 7948 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119113827-B Two-dimensional porous F-Ce nano-sheet/PVA mixed matrix membrane and preparation method and application thereof 北京理工大学 2026-05-19 CN claimed
WO-2026099502-A1 NOVEL DRUG CONJUGATES FOR TESTING CELLULAR DRUG UPTAKE Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2026-05-15 WO claimed
CN-121574367-A Electronic grade cyanate prepolymer and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2026-02-27 CN claimed
EP-4694909-A1 METHODS OF MODULATING THE EPITHELIAL-MESENCHYMAL TRANSITION RS Oncology, LLC (US) 2026-02-18 EP claimed
EP-3277381-B1 NITROBENZYL DERIVATIVES OF ANTI-CANCER AGENTS OBI PHARMA INC (TW) 2026-01-07 EP claimed
US-20250312749-A1 POLYAMIDINE-CONTAINING MEMBRANES FOR CO2 SEPARATIONS FROM GASEOUS STREAMS UNITED STATES DEPARTMENT OF ENERGY 2025-10-09 US claimed
EP-4619451-A1 MODIFIED POLYMER POLYOLS Repsol, S.A. (ES) 2025-09-24 EP claimed
EP-4587176-A2 POLYGUANIDINE-CONTAINING MEMBRANES AND METHODS OF USING THEREOF Ohio State Innovation Foundation (US) 2025-07-23 EP claimed
US-20250222395-A1 MEMBRANES FOR THE SEPARATION OF H2S FROM H2S-CO2 MIXTURES UNITED STATES DEPARTMENT OF ENERGY 2025-07-10 US claimed
CN-119899481-A Preparation method of controllable self-sustained release antifouling material 洛阳船舶材料研究所(中国船舶集团有限公司第七二五研究所) 2025-04-29 CN claimed
US-4085075-A MOLDING COMPOSITION, PHENOLIC RESIN, STARCH, AMINOPLAST CPC INTERNATIONAL INC. (US) 1978-04-18 US claimed
US-4082704-A POLYURETHANE FOAM OF INCREASED RIGIDITY TENNECO CHEMICALS, INC. (US) 1978-04-04 US claimed
US-4077948-A N-SALICYLIDENE-N*-SALICYLHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1978-03-07 US claimed
US-4076654-A AMMONIA GENERATING COMPOUND BRIDGESTONE TIRE COMPANY LIMITED (JA) 1978-02-28 US claimed
US-4062799-A SPIROACETAL DIAMINE FUJI PHOTO FILM CO., LTD. (JA) 1977-12-13 US claimed
US-4020224-A TRIAZINE DERIVATIVES FOR FIREPROOFING COTTON AND COTTON-POLYESTER BLENDS MONSANTO RESEARCH CORPORATION (US) 1977-04-26 US claimed
US-4018560-A FIREPROOFING TEXTILES HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-04-19 US claimed
US-3979533-A α,α'-Bis-(phosphono)dicarboxylic acid derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1976-09-07 US claimed
US-3956243-A TETRAKIS-(HYDROXYMETHYL)-PHOSPHONIUM COMPOUND OR DERIVATIVE CIBA-GEIGY CORPORATION (US) 1976-05-11 US claimed
US-3951887-A VULCANIZABLE, FORMALDEHYDE DONOR AND FORMALDEHYDE ACCEPTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 US claimed