SCHEMBL10711958

SCHEMBL10711958

Nc1ccc(-c2cc(Br)c3c(c2)CC(=O)N3)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 9/20 0.55
▸ CYP19A1 P11511 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ GRIA1 P42261 2/20 0.39
▸ CACNG8 Q8WXS5 2/20 0.39
▸ AHR P35869 2/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PGR P06401 1/20 0.36
▸ CRBN Q96SW2 1/20 0.35

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
SCHEMBL10712267 0.84 TDP2 (0.58) TDP2GRIA1CACNG8AHRPDE3B
SCHEMBL10714905 0.79 TDP2 (0.52) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL10711238 0.77 CYP19A1 (0.45) TDP2CYP19A1CYP11B1CYP11B2GRIA1
SCHEMBL10713895 0.76 ALDH1A1 (0.50) TDP2GRIA1CACNG8PDE3BPDE3A
SCHEMBL5373768 0.74 TDP2 (0.49) TDP2CYP19A1CYP11B1CYP11B2AHR
SCHEMBL10711906 0.73 PDE3B (0.68) TDP2CYP11B1CYP11B2GRIA1CACNG8
SCHEMBL10711419 0.73 TDP2 (0.52) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL154730 0.71 AHR (0.41) TDP2CYP19A1CYP11B1CYP11B2GRIA1
SCHEMBL4410702 0.71 AHR (0.49) TDP2CYP19A1CYP11B1CYP11B2GRIA1
SCHEMBL18210439 0.71 AHR (0.41) TDP2CYP19A1CYP11B1CYP11B2AHR

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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