SCHEMBL14546741

SCHEMBL14546741

Nc1cc(O)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ PHLPP2 Q6ZVD8 4/20 0.42
▸ ENPP2 Q13822 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ATIC P31939 1/20 0.38
▸ BRD4 O60885 4/20 0.37
▸ BRD3 Q15059 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ BRDT Q58F21 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SENP2 Q9HC62 3/20 0.37
▸ SUMO2 P61956 2/20 0.37
▸ SUMO1 P63165 2/20 0.37
▸ SENP7 Q9BQF6 2/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ SENP3 Q9H4L4 2/20 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
SCHEMBL14546748 0.95 TP53 (0.40) THRBPHLPP2ENPP2CYP2C9CYP2C19
SCHEMBL14547026 0.94 THRB (0.43) THRBPHLPP2ENPP2CYP2C9CYP2C19
SCHEMBL14546913 0.93 THRB (0.42) THRBPHLPP2ENPP2CYP2C9CYP2C19
SCHEMBL12052869 0.91 THRB (0.39) THRBPHLPP2ENPP2CYP2C9CYP2C19
SCHEMBL14546910 0.90 BRD4 (0.37) THRBPHLPP2ENPP2CYP2C9CYP2C19
SCHEMBL14546994 0.90 BRD4 (0.37) THRBPHLPP2ENPP2CYP2C9CYP2C19
SCHEMBL14546909 0.89 THRB (0.44) THRBPHLPP2ENPP2CYP2C9CYP2C19
SCHEMBL14546970 0.88 PHLPP2 (0.37) THRBPHLPP2ENPP2CYP2C9CYP2C19
SCHEMBL14546742 0.88 ENPP2 (0.42) THRBPHLPP2ENPP2CYP2C9CYP2C19
SCHEMBL14546744 0.87 P2RX5 (0.38) THRBENPP2CYP2C19ATICRPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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