SCHEMBL10712219

SCHEMBL10712219

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ PSD A5PKW4 7/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ AR P10275 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10711127 0.86 GSK3B (0.36) GSK3BMAPTTDP1POLBCYP3A4
SCHEMBL10714044 0.83 TRPM2 (0.38) GSK3BMEN1KMT2APGRLMNA
SCHEMBL10712632 0.82 PGR (0.39) GSK3BMAPTTDP1MEN1KMT2A
SCHEMBL10715084 0.81 PTGS2 (0.39) GSK3BMAPTTDP1MEN1KMT2A
SCHEMBL10713691 0.79 GSK3B (0.40) GSK3BMAPTTDP1MEN1KMT2A
SCHEMBL10711924 0.78 PGR (0.38) GSK3BMAPTTDP1CYP3A4GSK3A
SCHEMBL10713389 0.74 PGR (0.55) GSK3BMAPTTDP1MEN1KMT2A
SCHEMBL10711141 0.74 CYP3A4 (0.38) GSK3BMAPTTDP1MEN1KMT2A
SCHEMBL19370850 0.71 PGR (0.50) TDP1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL11427311 0.71 PGR (0.50) TDP1MEN1KMT2ACYP3A4SMN1; SMN2

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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