SCHEMBL9473162

SCHEMBL9473162

CCCSc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1Cc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.41
▸ ITGA4 P13612 9/20 0.41
▸ ITGB7 P26010 6/20 0.41
▸ GPR132 Q9UNW8 1/20 0.41
▸ ITGB1 P05556 7/20 0.41

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
SCHEMBL9474084 1.00 MEN1 (0.42) MEN1KMT2ASCN3AITGA4ITGB7
SCHEMBL9856770 0.95 ITGA4 (0.44) ITGA4ITGB7ITGB1
SCHEMBL9473565 0.94 SCN3A (0.41) MEN1KMT2ASCN3AITGA4ITGB7
SCHEMBL9857334 0.93 SCN3A (0.41) MEN1KMT2ASCN3AITGA4ITGB1
SCHEMBL9857009 0.93 SCN3A (0.41) MEN1KMT2ASCN3AITGA4ITGB1
SCHEMBL9473272 0.91 MAPT (0.45) MEN1KMT2ASCN3AITGA4ITGB7
SCHEMBL9473551 0.88 ITGB2 (0.49) —
SCHEMBL9473540 0.88 TP53 (0.35) MEN1KMT2AITGA4ITGB7GPR132
SCHEMBL9473700 0.87 CDK2 (0.42) —
SCHEMBL9474710 0.87 TP53 (0.40) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234917-A Hypotensive agent, treatment of renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION 1993-08-10 — — US disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 — — US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 — — US disclosed
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 — — EP disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 — — US disclosed
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