SCHEMBL9473272

SCHEMBL9473272

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnc(SCc2ccccc2)n1Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ GPR132 Q9UNW8 1/20 0.43
▸ ITGA4 P13612 6/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ITGB7 P26010 5/20 0.42
▸ ITGB1 P05556 4/20 0.42
▸ CAPN1 P07384 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ MME P08473 1/20 0.41
▸ FTO Q9C0B1 2/20 0.41
▸ TP53 P04637 3/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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 0.91 MEN1 (0.42) GPR132ITGA4MEN1KMT2AITGB7
SCHEMBL9473162 0.91 MEN1 (0.42) GPR132ITGA4MEN1KMT2AITGB7
SCHEMBL9473565 0.89 SCN3A (0.41) GPR132ITGA4MEN1KMT2AITGB7
SCHEMBL9857334 0.88 SCN3A (0.41) ITGA4MEN1KMT2AITGB1SCN3A
SCHEMBL9857009 0.88 SCN3A (0.41) ITGA4MEN1KMT2AITGB1SCN3A
SCHEMBL9474767 0.87 ITGA4 (0.42) POLBGPR132ITGA4MEN1KMT2A
SCHEMBL9473895 0.86 MEN1 (0.42) GPR132ITGA4MEN1KMT2AITGB7
SCHEMBL9473912 0.86 MEN1 (0.42) GPR132ITGA4MEN1KMT2AITGB7
SCHEMBL9856770 0.86 ITGA4 (0.44) ITGA4ITGB7ITGB1TP53
SCHEMBL9856896 0.82 FAAH (0.41) MEN1KMT2A

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-5234917-A Hypotensive agent, treatment of renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION 1993-08-10 — — US disclosed
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 — — EP disclosed
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