SCHEMBL6909775

SCHEMBL6909775

Nc1ccc(CN2CCc3[nH]n(-c4ccc5c(c4)OCO5)c(=O)c3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.43
BRS3 P32247 1/20 0.41
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CMA1 P23946 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.37
NOX4 Q9NPH5 1/20 0.36
BCL2A1 Q16548 1/20 0.36

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
SCHEMBL2303657 0.91 PKM (0.44) CLPPALDH1A1NPSR1MAPTMAPK1
SCHEMBL2301004 0.88 SMN1; SMN2 (0.43) CLPPALDH1A1NPSR1MAPTMAPK1
SCHEMBL2303047 0.88 ALDH1A1 (0.47) CLPPALDH1A1KMT2A
SCHEMBL2309384 0.87 SMN1; SMN2 (0.41) CLPPALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL2302430 0.86 MAPT (0.41) CLPPALDH1A1MAPTKMT2AKDM4E
SCHEMBL2347857 0.83 PKM (0.44) CLPPALDH1A1NPSR1MAPTMAPK1
SCHEMBL2300504 0.82 UBE2M (0.41) CLPPBRS3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6909368 0.79 DRD2 (0.45) CLPPBRS3ALDH1A1MAPTKMT2A
SCHEMBL2348266 0.79 ALDH1A1 (0.45) CLPPBRS3ALDH1A1NPSR1MAPT
SCHEMBL6909376 0.78 KMT2A (0.51) CLPPALDH1A1KMT2AKDM4ESMN1; SMN2

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-2011101804-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO disclosed