SCHEMBL7465195

SCHEMBL7465195

CSCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccn2)cc1)C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ITGB3 P05106 8/20 0.42
ITGA2B P08514 7/20 0.42
ITGAV P06756 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
FAAH O00519 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
SCHEMBL7467289 0.90 RAB9A (0.51) RAB9ANPC1KDM4EITGB3ITGA2B
SCHEMBL7472953 0.88 ITGB1 (0.51) RAB9ANPC1ITGB3ITGA2B
SCHEMBL7465207 0.87 RAB9A (0.48) RAB9ANPC1KDM4EKMT2AMEN1
SCHEMBL7464092 0.87 RAB9A (0.48) RAB9ANPC1KDM4EKMT2AMEN1
SCHEMBL7472719 0.86 ITGB1 (0.49) RAB9AKDM4EITGB3ITGA2BITGAV
SCHEMBL13764401 0.78 ITGB1 (0.46) RAB9ANPC1
SCHEMBL13768576 0.78 ITGB1 (0.51) RAB9ANPC1ITGB3ITGA2B
SCHEMBL7457304 0.77 ITGB1 (0.52) RAB9AKDM4EITGB3ITGA2BSMN1; SMN2
SCHEMBL7462011 0.77 KMT2A (0.47) RAB9AITGB3ITGA2BKMT2AMAPT
SCHEMBL7463043 0.77 RAB9A (0.50) RAB9ANPC1KDM4EKMT2AMEN1

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