SCHEMBL4739802

SCHEMBL4739802

CNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)O2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRBN Q96SW2 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL4734073 0.90 CHIA (0.33) NPC1RAB9ATP53SMN1; SMN2CCNA2
SCHEMBL4738609 0.89 DHODH (0.36) NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4737882 0.89 RAB9A (0.35) NPC1RAB9ACCNA2CDK2CCNA1
SCHEMBL4739132 0.87 KDM4E (0.40) NPC1RAB9A
SCHEMBL4784972 0.87 NPY5R (0.33) NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4737853 0.86 PTGES (0.38)
SCHEMBL4782354 0.86 KDM4E (0.32)
SCHEMBL4739290 0.86 PDE10A (0.33) NPC1RAB9A
SCHEMBL4734384 0.85 KMT2A (0.36) SMN1; SMN2HSP90AA1
SCHEMBL4737070 0.85 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2HSP90AA1

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
WO-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO claimed