SCHEMBL10710481

SCHEMBL10710481

CSC1C(=O)Nc2cccc(-c3cccc([N+](=O)[O-])c3)c21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.51
TDP2 O95551 3/20 0.47
LAP3 P28838 1/20 0.43
MAPT P10636 3/20 0.41
GSK3B P49841 1/20 0.41
PTPRC P08575 1/20 0.41
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10711747 0.81 CREBBP (0.43) MAPTKMT2AKDM4EALDH1A1LMNA
SCHEMBL10712231 0.81 PGR (0.62) PGRTDP2MAPTGSK3BKMT2A
SCHEMBL10711960 0.80 PGR (0.47) PGRTDP2MAPTGSK3BKMT2A
SCHEMBL10715133 0.80 PGR (0.72) PGRTDP2MAPTGSK3B
SCHEMBL10712211 0.79 KMT2A (0.45) TDP2MAPTGSK3BPTPRCKMT2A
SCHEMBL11427524 0.77 KMT2A (0.47) PGRTDP2MAPTKMT2AKDM4E
SCHEMBL10712932 0.76 CREBBP (0.34) TDP2MAPTKMT2A
SCHEMBL10712773 0.73 TDP1 (0.42) PGRTDP2MAPTKMT2AKDM4E
SCHEMBL11427311 0.71 PGR (0.50) PGRKMT2AALDH1A1SMN1; SMN2
SCHEMBL10921424 0.71 CCNB2 (0.39) MAPTGSK3BKMT2ALMNA

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