SCHEMBL358739

SCHEMBL358739

O=S(=O)(O)c1c(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
PADI4 Q9UM07 1/20 0.42
MPL P40238 2/20 0.40
CYP1A2 P05177 1/20 0.40
DAPK1 P53355 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 1/20 0.36
MCL1 Q07820 1/20 0.36
CTRB1 P17538 1/20 0.36

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
SCHEMBL898309 0.91 CYP2D6 (0.46) CYP2D6PADI4MPLCYP1A2DAPK1
SCHEMBL7543033 0.89 CYP2D6 (0.51) CYP2D6PADI4MPLCYP1A2DAPK1
SCHEMBL2524546 0.89 TSHR (0.48) CYP2D6PADI4MPLCYP1A2DAPK1
SCHEMBL9548576 0.87 CYP2D6 (0.50) CYP2D6PADI4MPLCYP1A2DAPK1
Hydrochloric Acid SCHEMBL11755878 0.86 TSHR (0.46) CYP2D6PADI4MPLCYP1A2DAPK1
SCHEMBL15522435 0.84 CYP2D6 (0.47) CYP2D6PADI4MPLCYP1A2DAPK1
SCHEMBL28517657 0.83 CYP2D6 (0.50) CYP2D6PADI4MPLCYP1A2DAPK1
SCHEMBL155814 0.82 DAPK1 (0.47) CYP2D6PADI4MPLCYP1A2DAPK1
SCHEMBL8915189 0.82 DAPK1 (0.51) CYP2D6PADI4CYP1A2DAPK1TSHR
SCHEMBL30852244 0.82 DAPK1 (0.47) CYP2D6PADI4MPLCYP1A2DAPK1

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

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045428-A Water-soluble reactive naphthylazonaphthyl dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-30 US claimed
CN-113316572-A Polymethine compounds 株式会社艾迪科 2021-08-27 CN disclosed
CN-106019836-B Colored curable resin composition 东友精细化工有限公司 2021-08-27 CN disclosed
CN-109511264-B Polymethine compounds 株式会社艾迪科 2021-06-08 CN disclosed
WO-2020218297-A1 POLYMETHINE COMPOUND 株式会社ADEKA 2020-10-29 WO disclosed
WO-2020142700-A1 BINDING DOMAIN MAPPING AND COMPOUNDS, COMPOSITIONS, COMPLEXES, METHODS, AND KITS RELATED THERETO George Mason Research Foundation, Inc. (US) 2020-07-09 WO disclosed
EP-2123724-B1 AQUEOUS INK COMPOSITION FOR BALLPOINT PEN PILOT INK CO LTD (JP) 2018-05-23 EP disclosed
CN-106019836-A Colored curable resin composition 东友精细化工有限公司 2016-10-12 CN disclosed
EP-2031008-B1 REACTION ACCELERATOR FOR CONDUCTIVE POLYMER SYNTHESIS, CONDUCTIVE POLYMER AND SOLID ELECTROLYTIC CAPACITOR TAYCA CORP (JP) 2016-10-05 EP disclosed
EP-1873182-B1 DOPANT SOLUTION FOR ELECTROCONDUCTIVE POLYMER, OXIDIZING AGENT AND CONCURRENTLY DOPANT SOLUTION FOR ELECTROCONDCTIVE POLYMER, ELECTROCONDCTIVE COMPOSITION AND SOLID ELECTROLYTIC CAPACITOR TAYCA CORP (JP) 2016-04-13 EP disclosed
WO-1995031492-A1 PAPER FINISHING AID BAYER AKTIENGESELLSCHAFT (DE) 1995-11-23 WO disclosed
EP-0247457-B1 PROCESS FOR THE PREPARATION OF REAGENT LAYERS CONTAINING HYDROPHOBIC REAGENTS MILES INC. (US) 1993-04-07 EP disclosed
US-5166232-A CELLULOSE/PLASTIC BLENDS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE WOLFF WALSRODE AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
US-5057276-A Dissolving ionomeric polymer and reagent in solvent, adding water, and removing solvent MILES INC. (US) 1991-10-15 US disclosed
EP-0247457-A2 Process for the preparation of reagent layers containing hydrophobic reagents MILES INC. (US) 1987-12-02 EP disclosed
US-4544683-A GYPSUM-POLYURETHANE OR POLYURETHANE-POLYUREA BAYER AKTIENGESELLSCHAFT (DE) 1985-10-01 US disclosed
US-4238236-A Rapidly cold weather setting/hardening mortars and concretes comprised of hydraulic binders RHONE-POULENC INDUSTRIES (FR) 1980-12-09 US disclosed
US-4163675-A CONTAINING NAPHTHALENE DERIVATIVES PILOT INK CO., LTD. (JP) 1979-08-07 US disclosed
US-3965087-A Trisazo dye containing a diphenylenesulfone structure SAKAI CHEMICAL INDUSTRY COMPANY LTD. (JA) 1976-06-22 US disclosed
US-3951941-A POLYAZODYE SAKAI CHEMICAL INDUSTRY COMPANY, LIMITED (JA) 1976-04-20 US disclosed