SCHEMBL10714014

SCHEMBL10714014

Cc1cc(-c2ccccc2)cc2c1CC(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.49
CACNG8 Q8WXS5 2/20 0.49
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AHR P35869 2/20 0.44
PDK2 Q15119 1/20 0.44
TDP2 O95551 1/20 0.43
GSK3B P49841 3/20 0.42
CDK5 Q00535 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42

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
SCHEMBL10711968 0.76 RAB9A (0.51) GRIA1CACNG8RAB9ASMN1; SMN2AHR
SCHEMBL5378136 0.75 CA12 (0.40) GRIA1CACNG8RAB9ASMN1; SMN2AHR
SCHEMBL10712589 0.75 GRIA1 (0.52) GRIA1CACNG8RAB9ASMN1; SMN2AHR
SCHEMBL4408889 0.73 TDP2 (0.65) GRIA1CACNG8AHRPDK2TDP2
SCHEMBL12992123 0.73 GRIA1 (0.41) GRIA1CACNG8AHRPDK2TDP2
SCHEMBL25746058 0.73 GSK3B (0.38) GRIA1CACNG8AHRPDK2TDP2
SCHEMBL29622074 0.72 CCNB2 (0.54) GRIA1CACNG8AHRPDK2GSK3B
SCHEMBL152281 0.72 CCNB2 (0.54) GRIA1CACNG8AHRPDK2GSK3B
SCHEMBL9834730 0.70 GSK3B (0.42) TDP2GSK3BCDK5GSK3ACCNB2
SCHEMBL6328529 0.70 BRD4 (0.54) GRIA1CACNG8AHRPDK2TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 US disclosed