SCHEMBL8360714

SCHEMBL8360714

Cc1cc(N(C(=O)CCC(=O)O)C(C)C)c(C)cc1NC(=O)CNc1ccc(C(=N)N)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
F2 P00734 4/20 0.36
F7 P08709 3/20 0.36
PLAU P00749 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL6569900 0.90 ITGB3 (0.41) ITGB3ITGA2BALDH1A1GAAMAPT
SCHEMBL6766036 0.88 ITGB3 (0.42) ITGB3ITGA2BALDH1A1GAAMAPT
SCHEMBL6767048 0.87 ITGB3 (0.42) ITGB3ITGA2BALDH1A1GAAMAPT
SCHEMBL6762132 0.85 ALDH1A1 (0.40) ITGB3ITGA2BALDH1A1GAAMAPT
SCHEMBL6571971 0.82 ALDH1A1 (0.39) ITGB3ITGA2BALDH1A1GAAMAPT
SCHEMBL6563611 0.80 ITGB3 (0.38) ITGB3ITGA2BF2F7PLAU
SCHEMBL6561932 0.80 PRSS1 (0.41) ITGB3ITGA2BF2
SCHEMBL6571927 0.76 ALDH1A1 (0.47) ITGB3ITGA2BALDH1A1GAAMAPT
SCHEMBL6766111 0.76 ITGB3 (0.45) ITGB3ITGA2BALDH1A1MAPTF2
SCHEMBL6762390 0.76 ALDH1A1 (0.46) ITGB3ITGA2BALDH1A1GAAMAPT

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
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO disclosed