SCHEMBL8260980

SCHEMBL8260980

CS(=O)(=O)c1ccc(CNC(=O)c2cc(C3=COCC3)cc3[nH]c(NC(=O)c4cc5ccccc5cn4)nc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAPK8 P45983 14/20 0.36
MAPK9 P45984 14/20 0.36
MAPK10 P53779 11/20 0.35
PRKD3 O94806 1/20 0.34
MAPK1 P28482 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
CCR1 P32246 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL1201166 0.86 NAMPT (0.46) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL1202167 0.85 MAPK8 (0.45) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL1201825 0.84 MAPK8 (0.45) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL1201420 0.83 NAMPT (0.44) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL1201728 0.82 NAMPT (0.42) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL1201708 0.82 HDAC3 (0.45) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL1201849 0.76 HDAC3 (0.42) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL1201673 0.75 HDAC3 (0.41) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL9611680 0.75 HDAC3 (0.38) HDAC3HDAC1HDAC2MAPK8MAPK9
SCHEMBL1201985 0.73 KCNQ3 (0.43) NAMPTCYP2C9HDAC3HDAC1HDAC2

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-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO disclosed