SCHEMBL5280184

SCHEMBL5280184

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)CCc3ccc(O)cc3O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
PLAU P00749 1/20 0.35
HTT P42858 2/20 0.34
MIF P14174 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5292438 0.93 RAB9A (0.43) SMN1; SMN2NPC1LMNARAB9AKMT2A
SCHEMBL2294694 0.84 MAPT (0.47) NPC1LMNARAB9AKMT2AKDM4E
SCHEMBL2295362 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPC1LMNARAB9AKMT2A
SCHEMBL2296479 0.82 NPC1 (0.39) SMN1; SMN2NPC1LMNARAB9AKMT2A
SCHEMBL2291245 0.82 RAB9A (0.38) SMN1; SMN2NPC1LMNARAB9AKMT2A
SCHEMBL2294482 0.80 NAMPT (0.48) SMN1; SMN2NPC1LMNARAB9AKMT2A
SCHEMBL5295936 0.79 MAPT (0.41) SMN1; SMN2NPC1LMNARAB9AKMT2A
SCHEMBL5291502 0.79 BCHE (0.46) SMN1; SMN2NPC1LMNARAB9AKMT2A
SCHEMBL2292264 0.79 NPC1 (0.44) SMN1; SMN2NPC1LMNARAB9AKMT2A
SCHEMBL2295598 0.79 MEN1 (0.43) SMN1; SMN2NPC1LMNARAB9AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed