SCHEMBL9857009

SCHEMBL9857009

CCCCCCSc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ FAAH O00519 2/20 0.39

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
SCHEMBL9857334 1.00 SCN3A (0.41) SCN3AMEN1KMT2AITGB1ITGA4
SCHEMBL9473565 0.99 SCN3A (0.41) SCN3AMEN1KMT2AITGB1ITGA4
SCHEMBL9473162 0.93 MEN1 (0.42) SCN3AMEN1KMT2AITGB1ITGA4
SCHEMBL9474084 0.93 MEN1 (0.42) SCN3AMEN1KMT2AITGB1ITGA4
SCHEMBL9856770 0.88 ITGA4 (0.44) ITGB1ITGA4
SCHEMBL9473272 0.88 MAPT (0.45) SCN3AMEN1KMT2AITGB1ITGA4
SCHEMBL9856896 0.85 FAAH (0.41) MEN1KMT2AFAAH
SCHEMBL9473316 0.85 FAAH (0.41) MEN1KMT2AFAAH
SCHEMBL9473895 0.82 MEN1 (0.42) SCN3AMEN1KMT2AITGB1ITGA4
SCHEMBL9473912 0.82 MEN1 (0.42) SCN3AMEN1KMT2AITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 — — EP disclosed
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