SCHEMBL6909385

SCHEMBL6909385

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 13/20 0.40
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
RCE1 Q9Y256 1/20 0.37
GNRHR P30968 3/20 0.37
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRA2 P47869 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
SCHEMBL6907625 0.90 CLPP (0.42) CLPPMEN1KMT2AGNRHR
SCHEMBL14152041 0.86 CLPP (0.50) CLPPKCNH2
SCHEMBL2303716 0.86 CLPP (0.42) CLPPKCNH2MEN1KMT2AATM
SCHEMBL2301441 0.84 MAPT (0.42) KCNH2MEN1KMT2AGNRHR
SCHEMBL6908946 0.83 CLPP (0.37) CLPPMEN1KMT2AATM
SCHEMBL6909785 0.82 BRS3 (0.44) CLPPKCNH2ATMCYP3A4
SCHEMBL2302430 0.82 MAPT (0.41) CLPPKCNH2KMT2A
SCHEMBL6911686 0.81 MEN1 (0.51) CLPPMEN1KMT2AATM
SCHEMBL2301165 0.80 CLPP (0.50) CLPPMEN1KMT2AATM
SCHEMBL2355004 0.79 CLPP (0.47) CLPPMEN1KMT2AATMRCE1

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