SCHEMBL10711968

SCHEMBL10711968

Cc1cc2c(c(-c3ccccc3)c1)CC(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CCNB2 O95067 4/20 0.45
CDK1 P06493 4/20 0.45
CCNB1 P14635 4/20 0.45
GSK3B P49841 4/20 0.45
CDK5 Q00535 4/20 0.45
CDK5R1 Q15078 4/20 0.45
CCNB3 Q8WWL7 4/20 0.45
GRIA1 P42261 2/20 0.44
CACNG8 Q8WXS5 2/20 0.44
MAPT P10636 1/20 0.43
YAP1 P46937 1/20 0.43
TDP2 O95551 1/20 0.42
ALDH1A1 P00352 2/20 0.41
AHR P35869 1/20 0.40
PDK2 Q15119 1/20 0.40
NPC1 O15118 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39

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
SCHEMBL5843496 0.77 JAK2 (0.51) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL10714014 0.76 GRIA1 (0.49) RAB9ASMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL5378136 0.74 CA12 (0.40) RAB9ASMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL16090379 0.74 BRD4 (0.52) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL6323945 0.74 JAK2 (0.49) RAB9ASMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL6328529 0.72 BRD4 (0.54) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL5246021 0.71 CMA1 (0.41) RAB9ASMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL10130338 0.71 AHR (0.44) RAB9ASMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL31383739 0.71 CMA1 (0.41) RAB9ASMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL5789814 0.71 GSK3B (0.38) RAB9ASMN1; SMN2CCNB2CDK1CCNB1

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