SCHEMBL9614604

SCHEMBL9614604

Nc1c(N=Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)ccc2cccc(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.46
CYP2C9 P11712 2/20 0.46
HIF1A Q16665 2/20 0.46
TSHR P16473 1/20 0.46
PTPRA P18433 1/20 0.46
PTPRB P23467 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ATIC P31939 1/20 0.44
DNASE1L3 Q13609 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
MEN1 O00255 2/20 0.42
THRB P10828 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRMT1 Q99873 1/20 0.42

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
SCHEMBL16560668 0.84 AURKA (0.51) CYP1A2CYP2C9HIF1ATSHRPTPRA
SCHEMBL16062557 0.84 SENP3 (0.57) CYP1A2CYP2C9HIF1ATSHRPTPRA
SCHEMBL3205852 0.78 AURKA (0.57) CYP1A2MAPK1ALDH1A1AURKAAURKB
SCHEMBL6562158 0.77 PRMT1 (0.65) CYP1A2CYP2C9HIF1AMAPK1ALDH1A1
SCHEMBL9299843 0.77 PRMT1 (0.65) CYP1A2CYP2C9HIF1AMAPK1ALDH1A1
SCHEMBL16062724 0.77 PRMT1 (0.45) CYP1A2CYP2C9CYP2C19HSD17B10MAPK1
SCHEMBL11205072 0.75 CYP1A2 (0.53) CYP1A2CYP2C9HIF1ATSHRPTPRA
SCHEMBL11205073 0.75 CYP1A2 (0.53) CYP1A2CYP2C9HIF1ATSHRPTPRA
SCHEMBL15268136 0.74 SENP2 (0.50) CYP1A2CYP2C9CYP2C19HSD17B10MAPK1
SCHEMBL3434042 0.74 SENP2 (0.54) CYP1A2CYP2C9HIF1AHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020246342-A1 INK COMPOSITION AND INK-JET RECORDING METHOD INCLUDING USING SAME 日本化薬株式会社 2020-12-10 WO disclosed
EP-0471702-A1 WATER-SOLUBLE REACTIVE DYES FOR FIBRES, THEIR PREPARATION AND USE. HOECHST AG (DE) 1992-02-26 EP disclosed
WO-1990013604-A1 WATER-SOLUBLE REACTIVE DYES FOR FIBRES, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-15 WO disclosed
EP-0179019-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed