SCHEMBL9285885

SCHEMBL9285885

Nc1c(S(=O)(=O)O)c(O)c2ccccc2c1N=Nc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.52
▸ HIF1A Q16665 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP2C9 P11712 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PTPRA P18433 1/20 0.51
▸ PTPRB P23467 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RAPGEF4 Q8WZA2 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPK1 P28482 3/20 0.50
▸ DNASE1L3 Q13609 1/20 0.50
▸ SENP2 Q9HC62 1/20 0.49
▸ SENP1 Q9P0U3 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ PRMT1 Q99873 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MPL P40238 4/20 0.47
▸ CTRC Q99895 2/20 0.47
▸ CTRB1 P17538 1/20 0.46

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
SCHEMBL2015717 0.88 CYP1A2 (0.55) CYP1A2HIF1AALDH1A1CYP2C9TSHR
SCHEMBL1759533 0.85 CYP1A2 (0.55) CYP1A2HIF1AALDH1A1CYP2C9TSHR
SCHEMBL1098620 0.83 CYP1A2 (0.58) CYP1A2HIF1AALDH1A1CYP2C9TSHR
SCHEMBL1097950 0.83 CYP1A2 (0.58) CYP1A2HIF1AALDH1A1CYP2C9TSHR
SCHEMBL8675476 0.83 CYP1A2 (0.55) CYP1A2HIF1AALDH1A1CYP2C9TSHR
SCHEMBL9770459 0.81 SUMO2 (0.50) CYP1A2ALDH1A1MAPK1SENP2SENP1
SCHEMBL16689771 0.75 CYP1A2 (0.84) CYP1A2HIF1AALDH1A1CYP2C9TSHR
SCHEMBL14400947 0.75 CYP1A2 (0.72) CYP1A2HIF1AALDH1A1CYP2C9TSHR
SCHEMBL27770231 0.75 CYP1A2 (0.62) CYP1A2HIF1AALDH1A1CYP2C9TSHR
SCHEMBL29894000 0.75 CYP1A2 (0.72) CYP1A2HIF1AALDH1A1CYP2C9TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489360-B1 Water-soluble azocompounds, process for their preparation and their use as dyes HOECHST AG (DE) 1995-09-20 — — EP claimed
EP-0381133-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-03-02 — — EP claimed
EP-0384276-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-11-10 — — EP claimed
EP-0283900-B1 WATER SOLUBLE AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-10 — — EP claimed
EP-0031508-B1 WATER-SOLUBLE AZO COMPOUNDS AND THEIR COPPER COMPLEXES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-09 — — EP claimed
US-5216138-A With vinyl sulfonyl group HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 — — US disclosed
US-5010180-A Printing, dyeing HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-23 — — US disclosed
US-4841027-A ACLYATION OF AMINONAPHTHOLSULFONIC ACID; REACTING WITH DIAZONIUM COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 — — US disclosed
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