SCHEMBL8906397

SCHEMBL8906397

CCc1nc2ccc(N3CCCCC3=O)cc2n1-c1ccc(-c2ccccc2)c(C#N)c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.36
F10 P00742 3/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CDK2 P24941 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33
BRDT Q58F21 1/20 0.33
MAPK1 P28482 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
SCHEMBL8907575 0.90 LMNA (0.35) KDM4EALDH1A1LMNAKMT2AMAPK1
SCHEMBL8905450 0.81 PPARG (0.37) PDE10A
SCHEMBL9095568 0.77 PPARG (0.54)
SCHEMBL8906550 0.76 ALDH1A1 (0.41) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL8905606 0.76
SCHEMBL8905232 0.76
SCHEMBL8905932 0.74 BRD9 (0.34) BRD9F10CCNCCDK8CDK2
SCHEMBL8907406 0.73 LMNA (0.33) LMNAMAPK1
SCHEMBL8905157 0.73 ALDH1A1 (0.33) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL8905454 0.73 PPARG (0.42)

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
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed