SCHEMBL10714905

SCHEMBL10714905

Nc1ccc(-c2cc(Br)cc3c2NC(=O)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 12/20 0.52
▸ AHR P35869 2/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ GRIA2 P42262 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GRIA1 P42261 2/20 0.35
▸ CACNG8 Q8WXS5 2/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 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
SCHEMBL31117027 0.85 TDP2 (0.52) TDP2AHRCMA1
SCHEMBL10714240 0.85 TDP2 (0.49) TDP2AHRCMA1GRIA1CACNG8
SCHEMBL10711419 0.82 TDP2 (0.52) TDP2AHRCMA1GRIA2CYP1A2
SCHEMBL10711958 0.79 TDP2 (0.55) TDP2AHRCMA1GRIA2CYP1A2
SCHEMBL10714481 0.77 TDP2 (0.53) TDP2AHRGRIA1CACNG8
SCHEMBL10713979 0.76 TDP2 (0.49) TDP2AHRGRIA1CACNG8PDE3B
SCHEMBL10712267 0.75 TDP2 (0.58) TDP2AHRGRIA2CYP1A2CYP3A4
SCHEMBL5373768 0.72 TDP2 (0.49) TDP2AHRCMA1PDE3BPDE3A
SCHEMBL10711573 0.71 GRIA1 (0.42) TDP2AHRGRIA1CACNG8PDE3B
SCHEMBL18189576 0.69 AHR (0.53) TDP2AHRCMA1CYP1A2GRIA1

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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