SCHEMBL7467289

SCHEMBL7467289

CSCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccc(C)cn2)cc1)C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 2/20 0.51
ITGB3 P05106 6/20 0.42
ITGA2B P08514 5/20 0.42
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 3/20 0.39
ITGAV P06756 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 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
SCHEMBL7465195 0.90 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTITGB3
SCHEMBL7467296 0.87 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7463043 0.87 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7472953 0.86 ITGB1 (0.51) RAB9ANPC1ITGB3ITGA2B
SCHEMBL7461541 0.77 KMT2A (0.42) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7465207 0.77 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7464092 0.77 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7468071 0.76 ITGB1 (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13768576 0.76 ITGB1 (0.51) RAB9ANPC1ITGB3ITGA2B
SCHEMBL7472719 0.76 ITGB1 (0.49) RAB9ASMN1; SMN2MAPTITGB3ITGA2B

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-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed