SCHEMBL10710490

SCHEMBL10710490

Nc1ccccc1-c1cccc2c1CC(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 13/20 0.48
CDK1 P06493 13/20 0.48
CCNB1 P14635 13/20 0.48
CCNB3 Q8WWL7 13/20 0.48
GSK3B P49841 12/20 0.48
CDK5 Q00535 12/20 0.48
CDK5R1 Q15078 12/20 0.48
CCNT1 O60563 3/20 0.48
CCNA2 P20248 3/20 0.48
CDK2 P24941 3/20 0.48
CDK9 P50750 3/20 0.48
CCNA1 P78396 3/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
JAK2 O60674 1/20 0.46
AHR P35869 1/20 0.46
PDK2 Q15119 1/20 0.46
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRM1 P35372 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
SCHEMBL836954 0.84 AHR (0.48) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL10714318 0.84 CCNB2 (0.43) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL6323945 0.80 JAK2 (0.49) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL6328115 0.80 CCNB2 (0.58) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL6321462 0.80 CCNB2 (0.48) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL5843496 0.79 JAK2 (0.51) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL16090379 0.77 BRD4 (0.52) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL10714693 0.76 CREBBP (0.56) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL10712645 0.76 TDP2 (0.52) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL156843 0.75 JAK2 (0.45) CCNB2CDK1CCNB1CCNB3GSK3B

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 5 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
EP-0089426-B1 2-AMINO-6-BIPHENYLACETIC ACIDS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-06-11 EP 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
EP-0089426-A1 2-Amino-6-biphenylacetic acids A.H. ROBINS COMPANY, INCORPORATED (US) 1983-09-28 EP disclosed
US-4333951-A MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INC. (US) 1982-06-08 US disclosed