SCHEMBL4753233

SCHEMBL4753233

Cc1nc(C2CC3CC3C2)[nH]c(=O)c1-c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC11A2 P49281 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
USP30 Q70CQ3 3/20 0.35
KDM1A O60341 1/20 0.35
PSD A5PKW4 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
CSF1R P07333 2/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
MAPT P10636 1/20 0.34
UBE2N P61088 1/20 0.34

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
SCHEMBL4756695 0.81 HSD11B1 (0.39) PDE9AKDM4EALDH1A1HPGDUSP30
SCHEMBL4753279 0.72 FASN (0.32) PDE9AKDM4EALDH1A1HPGDUSP30
SCHEMBL4755648 0.71 PIK3CA (0.35) PDE9AKDM1A
SCHEMBL4753259 0.68 PIK3CA (0.35) PDE9A
SCHEMBL4755201 0.67 HSD11B1 (0.38) KDM4EALDH1A1HPGDUSP30PSD
SCHEMBL4753738 0.66 JAK2 (0.35) PDE9A
SCHEMBL4755140 0.65 HSD11B1 (0.38) USP30PSDHSD11B1KIT
SCHEMBL13746898 0.65 HSD11B1 (0.39) PDE9AKDM4EALDH1A1HPGDKDM1A
SCHEMBL13747135 0.64 HSD11B1 (0.35) PDE9AKDM4EALDH1A1HPGDHSD11B1
SCHEMBL3074271 0.59 CHEK1 (0.59) SLC11A2ALDH1A1

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 disclosed