SCHEMBL7465207

SCHEMBL7465207

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.39
PTGFR P43088 2/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL7464092 1.00 RAB9A (0.48) RAB9ANPC1KDM4EKMT2AGAA
SCHEMBL7463043 0.90 RAB9A (0.50) RAB9ANPC1KDM4EKMT2AGAA
SCHEMBL7467296 0.90 RAB9A (0.50) RAB9ANPC1KDM4EKMT2AGAA
SCHEMBL7467419 0.88 NPC1 (0.49) RAB9ANPC1KMT2A
SCHEMBL7465195 0.87 RAB9A (0.49) RAB9ANPC1KDM4EKMT2AGAA
SCHEMBL7470798 0.86 RAB9A (0.42) RAB9ANPC1KDM4EKMT2AMEN1
SCHEMBL7467339 0.84 KMT2A (0.45) RAB9AKMT2AMEN1
SCHEMBL7461109 0.84 KMT2A (0.45) RAB9AKMT2AMEN1
SCHEMBL7461541 0.80 KMT2A (0.42) RAB9ANPC1KDM4EKMT2APTGFR
SCHEMBL7471656 0.79 KMT2A (0.43) RAB9AKMT2AMEN1MAPTLMNA

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