SCHEMBL7470798

SCHEMBL7470798

COc1ccc(C(CNC(=O)[C@H](CCSC)NC(=O)Cc2ccc(NC(=O)Nc3ccccn3)cc2)C(=O)O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
FPR2 P25090 1/20 0.38
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
EGFR P00533 2/20 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
SCHEMBL7471656 0.92 KMT2A (0.43) RAB9ALMNAATMNPSR1MEN1
SCHEMBL7471806 0.92 KMT2A (0.43) RAB9ALMNAATMNPSR1MEN1
SCHEMBL7465560 0.90 ITGB1 (0.42) RAB9ALMNAATMNPC1NPSR1
SCHEMBL7467208 0.90 ITGB1 (0.42) RAB9ALMNAATMNPC1NPSR1
SCHEMBL7472719 0.86 ITGB1 (0.49) RAB9ALMNAATMNPSR1KMT2A
SCHEMBL7466308 0.86 ITGB1 (0.46) LMNAATMNPSR1MEN1KMT2A
SCHEMBL7466040 0.86 ITGB1 (0.46) LMNAATMNPSR1MEN1KMT2A
SCHEMBL7464092 0.86 RAB9A (0.48) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL7465207 0.86 RAB9A (0.48) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL7457312 0.83 MAPK1 (0.46) RAB9ANPC1FPR2KDM4EALDH1A1

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