SCHEMBL4753279

SCHEMBL4753279

CNc1nc(C2CC3C(C2)C3(F)F)[nH]c(=O)c1-c1ccc(C#N)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.32
USP30 Q70CQ3 3/20 0.32
PDE9A O76083 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
PSD A5PKW4 1/20 0.31
KIT P10721 1/20 0.31
MAPT P10636 1/20 0.31
UBE2N P61088 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN11 Q06124 1/20 0.31
HSD11B1 P28845 2/20 0.30
TYMP P19971 1/20 0.30

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
SCHEMBL4755201 0.80 HSD11B1 (0.38) FASNUSP30KDM4EALDH1A1HPGD
SCHEMBL4755648 0.72 PIK3CA (0.35) PDE9A
SCHEMBL4753233 0.72 PDE9A (0.37) USP30PDE9AKDM4EALDH1A1HPGD
SCHEMBL4753289 0.68 MAT2A (0.34)
SCHEMBL4756695 0.66 HSD11B1 (0.39) FASNUSP30PDE9AKDM4EALDH1A1
SCHEMBL4755691 0.65 USP14 (0.36) KDM4EALDH1A1MAPT
SCHEMBL4755140 0.62 HSD11B1 (0.38) FASNUSP30PSDKITHSD11B1
SCHEMBL13985503 0.61 USP14 (0.35) KDM4EALDH1A1MAPT
SCHEMBL13746898 0.60 HSD11B1 (0.39) FASNPDE9AKDM4EALDH1A1HPGD
SCHEMBL13747135 0.59 HSD11B1 (0.35) FASNPDE9AKDM4EALDH1A1HPGD

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO claimed