SCHEMBL10711127

SCHEMBL10711127

CSC1C(=O)Nc2c(-c3ccc([N+](=O)[O-])cc3)cc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ SNCA P37840 1/20 0.34
▸ GYS1 P13807 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33

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
SCHEMBL10712219 0.86 GSK3B (0.38) GSK3BCYP3A4TDP1SMN1; SMN2PGR
SCHEMBL10711924 0.82 PGR (0.38) GSK3BCYP3A4TDP1SMN1; SMN2PGR
SCHEMBL10712632 0.82 PGR (0.39) GSK3BCYP3A4TDP1SMN1; SMN2PGR
SCHEMBL10715084 0.81 PTGS2 (0.39) GSK3BCYP3A4TDP1SMN1; SMN2PGR
SCHEMBL10713691 0.79 GSK3B (0.40) GSK3BCYP3A4TDP1SMN1; SMN2PGR
SCHEMBL10713389 0.74 PGR (0.55) GSK3BCYP3A4TDP1PGRCA12
SCHEMBL10711141 0.74 CYP3A4 (0.38) GSK3BCYP3A4TDP1SMN1; SMN2PGR
SCHEMBL11427311 0.71 PGR (0.50) CYP3A4TDP1SMN1; SMN2PGRSNCA
SCHEMBL19370850 0.71 PGR (0.50) CYP3A4TDP1SMN1; SMN2PGRSNCA
SCHEMBL10712895 0.70 MEN1 (0.38) GSK3BCYP3A4TDP1PGRLMNA

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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