SCHEMBL14546996

SCHEMBL14546996

Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ CD40 P25942 1/20 0.45
▸ CD40LG P29965 1/20 0.45
▸ ENPP2 Q13822 5/20 0.43
▸ SENP2 Q9HC62 6/20 0.42
▸ SUMO2 P61956 4/20 0.42
▸ SUMO1 P63165 4/20 0.42
▸ SENP7 Q9BQF6 4/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SENP1 Q9P0U3 5/20 0.39
▸ SENP3 Q9H4L4 4/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ PHLPP2 Q6ZVD8 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL14388847 1.00 THRB (0.45) THRBCD40CD40LGENPP2SENP2
SCHEMBL14388757 1.00 THRB (0.45) THRBCD40CD40LGENPP2SENP2
SCHEMBL15671908 0.96 ENPP2 (0.42) THRBCD40CD40LGENPP2SENP2
SCHEMBL14388927 0.94 THRB (0.50) THRBCD40CD40LGENPP2SENP2
SCHEMBL14388922 0.93 THRB (0.45) THRBCD40CD40LGENPP2SENP2
SCHEMBL14388758 0.91 CD40 (0.47) THRBCD40CD40LGENPP2SENP2
SCHEMBL14388766 0.90 THRB (0.45) THRBCD40CD40LGENPP2SENP2
SCHEMBL17384282 0.90 ENPP2 (0.46) THRBCD40CD40LGENPP2SENP2
SCHEMBL14388944 0.89 ENPP2 (0.48) THRBCD40CD40LGENPP2SENP2
SCHEMBL14388816 0.88 CD40 (0.45) THRBCD40CD40LGENPP2CYP2C9

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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