SCHEMBL17339106

SCHEMBL17339106

CC(=O)c1cc(C(=O)O)n2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 5/20 0.60
▸ FNTB P49356 5/20 0.60
▸ MAPT P10636 4/20 0.57
▸ THRB P10828 1/20 0.57
▸ TP53 P04637 3/20 0.54
▸ BAZ2B Q9UIF8 9/20 0.53
▸ BAZ2A Q9UIF9 9/20 0.53
▸ BRD4 O60885 2/20 0.49
▸ BRD9 Q9H8M2 2/20 0.49
▸ BRD2 P25440 1/20 0.49
▸ BRD3 Q15059 1/20 0.49

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
SCHEMBL29412239 0.90 MAPT (0.68) FNTAFNTBMAPTTHRBTP53
SCHEMBL9531095 0.87 FNTA (0.69) FNTAFNTBMAPTTHRBTP53
SCHEMBL17339062 0.79 FNTA (0.51) FNTAFNTBMAPTTHRBTP53
SCHEMBL17339148 0.79 ALDH1A1 (0.61) FNTAFNTBMAPTTHRBTP53
SCHEMBL18549629 0.79 MAPT (0.50) FNTAFNTBMAPTTHRBTP53
SCHEMBL28448668 0.78 MAPT (0.48) FNTAFNTBMAPTTHRBTP53
SCHEMBL17339103 0.77 BAZ2B (0.49) FNTAFNTBMAPTTP53BAZ2B
SCHEMBL24304134 0.76 TP53 (0.63) FNTAFNTBMAPTTHRBTP53
SCHEMBL18549567 0.76 TP53 (0.44) FNTAFNTBMAPTTHRBTP53
SCHEMBL17339178 0.76 FNTA (0.52) FNTAFNTBMAPTBAZ2BBAZ2A

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-2015188777-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-17 — — WO disclosed
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