SCHEMBL5305129

SCHEMBL5305129

Cc1ccc(CC(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 2/20 0.45
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
NLRP3 Q96P20 1/20 0.43
KDR P35968 3/20 0.43

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
SCHEMBL2291392 0.93 KMT2A (0.51) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL5289381 0.93 ITGB1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EITGB1
SCHEMBL2297135 0.91 KMT2A (0.46) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2299666 0.91 KMT2A (0.48) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2299814 0.91 LMNA (0.45) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2297605 0.90 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL5295744 0.88 BCHE (0.46) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2299928 0.87 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2295280 0.87 KMT2A (0.50) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2294968 0.87 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAKMT2A

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