SCHEMBL6907625

SCHEMBL6907625

Nc1cccc(-n2[nH]c3c(c2=O)CN(Cc2ccc(Cl)cc2)CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 9/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 3/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GNRHR P30968 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6909385 0.90 CLPP (0.40) CLPPMEN1KMT2AGNRHR
SCHEMBL6908946 0.88 CLPP (0.37) CLPPMEN1KMT2AKDM4EALDH1A1
SCHEMBL2300073 0.87 MEN1 (0.54) CLPPMEN1KMT2AKDM4EALDH1A1
SCHEMBL2337803 0.86 KDM4E (0.54) CLPPKMT2ADRD4DRD2DRD3
SCHEMBL2301395 0.85 CLPP (0.57) CLPPDRD4DRD2DRD3
SCHEMBL2301165 0.85 CLPP (0.50) CLPPMEN1KMT2A
SCHEMBL6907289 0.84 GABRA1 (0.43) CLPPDRD2KDM4E
SCHEMBL6911686 0.84 MEN1 (0.51) CLPPMEN1KMT2ADRD4DRD2
SCHEMBL6909785 0.83 BRS3 (0.44) CLPPDRD2DRD3KDM4EALDH1A1
SCHEMBL6909376 0.83 KMT2A (0.51) CLPPKMT2ADRD4DRD2DRD3

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