SCHEMBL5301973

SCHEMBL5301973

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)C3Cc4ccccc4N3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
NR1I2 O75469 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GFER P55789 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ITGB3 P05106 4/20 0.34
ITGAV P06756 2/20 0.34
ITGA2B P08514 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ITGB5 P18084 1/20 0.33

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
SCHEMBL5280577 0.93 MAPT (0.38) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL5295212 0.83 POLB (0.43) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5284187 0.82 GHSR (0.47) RAB9ANPC1SMN1; SMN2LMNANR1I2
SCHEMBL5306255 0.79 ALDH1A1 (0.37) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL2296252 0.78 NR1I2 (0.47) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL2296670 0.78 NR1I2 (0.47) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL2295674 0.77 NPC1 (0.56) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL2296379 0.77 NPC1 (0.46) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL2300786 0.77 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL5284712 0.77 POLB (0.43) SMN1; SMN2KMT2AKDM4EMEN1ITGB3

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