SCHEMBL10710455

SCHEMBL10710455

Nc1ccc(-c2ccc(N)c3c2NC(=O)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 4/20 0.49
▸ DRD2 P14416 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ AHR P35869 1/20 0.33
▸ DDB1 Q16531 2/20 0.33
▸ CRBN Q96SW2 2/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ CHEK1 O14757 3/20 0.32

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
SCHEMBL10714481 0.77 TDP2 (0.53) TDP2AHR
SCHEMBL10711495 0.71 TDP2 (0.49) TDP2CCNB2CDK1CCNB1GSK3B
SCHEMBL10712267 0.69 TDP2 (0.58) TDP2GSK3BCDK5AHRPDE3B
SCHEMBL10714905 0.68 TDP2 (0.52) TDP2AHRPDE3BPDE3ACYP3A4
SCHEMBL10711419 0.68 TDP2 (0.52) TDP2AHRCYP3A4GRIA2CYP1A2
SCHEMBL10713971 0.68 AHR (0.44) TDP2DRD2DRD4DRD3CCNB2
SCHEMBL10711508 0.68 TDP2 (0.43) TDP2CCNB2CDK1CCNB1GSK3B
SCHEMBL18010825 0.66 TDP2 (1.00) TDP2
SCHEMBL3409219 0.65 TDP1 (0.39) TDP2GSK3BCHEK1CYP3A4ALDH1A1
SCHEMBL21373 0.64 TDP1 (0.48) TDP2CYP3A4ALDH1A1TP53TDP1

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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