SCHEMBL10712283

SCHEMBL10712283

CSC1C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ CAPN9 O14815 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.36
▸ TXNRD3 Q86VQ6 1/20 0.36
▸ TXNRD2 Q9NNW7 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ RPS6KA5 O75582 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ CDK1 P06493 1/20 0.36

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
SCHEMBL10711782 0.86 PGR (0.46) PGRTDP1CYP3A4MAPTMEN1
SCHEMBL10713389 0.86 PGR (0.55) PGRTDP1CYP3A4MAPTCAPN9
SCHEMBL11427311 0.85 PGR (0.50) PGRTDP1CYP3A4CAPN9CASP3
SCHEMBL19370850 0.85 PGR (0.50) PGRTDP1CYP3A4CAPN9CASP3
SCHEMBL10715133 0.82 PGR (0.72) PGRMAPTGSK3B
SCHEMBL10711063 0.77 MEN1 (0.42) PGRTDP1CYP3A4MAPTMEN1
SCHEMBL10714733 0.77 TDP1 (0.43) PGRTDP1CYP3A4MAPTCAPN9
SCHEMBL10713691 0.75 GSK3B (0.40) PGRTDP1CYP3A4MAPTMEN1
SCHEMBL10712231 0.74 PGR (0.62) PGRMAPTKMT2AGSK3B
SCHEMBL10714017 0.72 GRIA1 (0.49) PGRMAPTPOLBCA12CA9

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
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