SCHEMBL6908946

SCHEMBL6908946

Nc1cccc(-n2[nH]c3c(c2=O)CN(Cc2ccc(Cl)nc2)CC3)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 7/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6910461 0.93 MEN1 (0.37) CLPPMEN1KMT2AATMPRMT5
SCHEMBL6907625 0.88 CLPP (0.42) CLPPMEN1KMT2AKDM4EALDH1A1
SCHEMBL2303402 0.86 CLPP (0.49) CLPP
SCHEMBL6907289 0.85 GABRA1 (0.43) CLPPCHRNB2CHRNA4KDM4E
SCHEMBL2305149 0.84 GABRA1 (0.46) CLPPMEN1KMT2AATMPRMT5
SCHEMBL6909385 0.83 CLPP (0.40) CLPPMEN1KMT2AATM
SCHEMBL2304833 0.80 CLPP (0.41) CLPPMEN1KMT2AATMKDM4E
SCHEMBL2346966 0.79 CLPP (0.47) CLPP
SCHEMBL2306533 0.79 PRMT5 (0.41) CLPPMEN1KMT2AATMPRMT5
SCHEMBL6909785 0.79 BRS3 (0.44) CLPPATMKDM4EALDH1A1

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