SCHEMBL14533129

SCHEMBL14533129

COc1cc(C)c(S(=O)(=O)O)cc1N=Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 2/20 0.55
BRD4 O60885 2/20 0.52
RPS6KA3 P51812 1/20 0.49
PTPN1 P18031 2/20 0.46
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
ATIC P31939 1/20 0.43
TP53 P04637 2/20 0.43
CREBBP Q92793 1/20 0.43
SENP2 Q9HC62 2/20 0.43
SENP1 Q9P0U3 2/20 0.43
SENP3 Q9H4L4 1/20 0.43
ENPP2 Q13822 4/20 0.42
SUMO2 P61956 1/20 0.41
SUMO1 P63165 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4338493 0.86 PHLPP2 (0.54) PHLPP2BRD4RPS6KA3POLBCYP2D6
SCHEMBL4338500 0.86 PHLPP2 (0.54) PHLPP2BRD4RPS6KA3POLBCYP2D6
SCHEMBL13743964 0.85 BRD4 (0.44) PHLPP2BRD4RPS6KA3PTPN1POLB
SCHEMBL14503644 0.82 PTPN11 (0.46) PHLPP2BRD4PTPN1POLBPTGS1
SCHEMBL14469721 0.81 PHLPP2 (0.54) PHLPP2BRD4RPS6KA3POLBCYP2D6
SCHEMBL9462136 0.80 PHLPP2 (0.56) PHLPP2BRD4RPS6KA3POLBCYP2D6
SCHEMBL9462138 0.80 PHLPP2 (0.56) PHLPP2BRD4RPS6KA3POLBCYP2D6
SCHEMBL19235141 0.80 PHLPP2 (0.56) PHLPP2BRD4RPS6KA3POLBCYP2D6
SCHEMBL16454194 0.79 PHLPP2 (0.55) PHLPP2BRD4RPS6KA3PTGS1PTGS2
SCHEMBL9881394 0.78 PHLPP2 (0.48) PHLPP2BRD4POLBPTGS1PTGS2

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
US-7217803-B2 Benzimidazole-pyridone-based azo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-05-15 US disclosed