SCHEMBL7467296

SCHEMBL7467296

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 7/20 0.41
MEN1 O00255 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PTGFR P43088 2/20 0.37
LMNA P02545 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
SCHEMBL7463043 1.00 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7465207 0.90 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7464092 0.90 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7461541 0.90 KMT2A (0.42) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7467289 0.87 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7467419 0.86 NPC1 (0.49) RAB9ANPC1KMT2A
SCHEMBL7461109 0.80 KMT2A (0.45) RAB9AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7467339 0.80 KMT2A (0.45) RAB9AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7472840 0.79 MEN1 (0.41) RAB9AKMT2AMEN1GAALMNA
SCHEMBL7467182 0.77 DGAT1 (0.45) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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