SCHEMBL9474767

SCHEMBL9474767

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnc(SC2CC2)n1Cc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 8/20 0.42
▸ GPR132 Q9UNW8 1/20 0.41
▸ ITGB1 P05556 7/20 0.41
▸ ITGB7 P26010 5/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.39
▸ MME P08473 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ FTO Q9C0B1 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ITGA5 P08648 1/20 0.38

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
SCHEMBL9473272 0.87 MAPT (0.45) ITGA4GPR132ITGB1ITGB7MEN1
SCHEMBL9473162 0.84 MEN1 (0.42) ITGA4GPR132ITGB1ITGB7MEN1
SCHEMBL9474084 0.84 MEN1 (0.42) ITGA4GPR132ITGB1ITGB7MEN1
SCHEMBL9473895 0.83 MEN1 (0.42) ITGA4GPR132ITGB1ITGB7MEN1
SCHEMBL9473912 0.83 MEN1 (0.42) ITGA4GPR132ITGB1ITGB7MEN1
SCHEMBL9473565 0.82 SCN3A (0.41) ITGA4GPR132ITGB1ITGB7MEN1
SCHEMBL9857009 0.81 SCN3A (0.41) ITGA4ITGB1MEN1KMT2ASCN3A
SCHEMBL9857334 0.81 SCN3A (0.41) ITGA4ITGB1MEN1KMT2ASCN3A
SCHEMBL9856770 0.79 ITGA4 (0.44) ITGA4ITGB1ITGB7
SCHEMBL9856896 0.79 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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