SCHEMBL4755140

SCHEMBL4755140

N#Cc1ccc(-c2c(CO)nc([C@H]3CC[C@@H](C(F)(F)F)CC3)[nH]c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
FASN P49327 6/20 0.35
PSD A5PKW4 2/20 0.34
KIT P10721 3/20 0.34
USP30 Q70CQ3 3/20 0.33
PARP1 P09874 1/20 0.32
PLAT P00750 1/20 0.32
TNKS O95271 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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 0.84 HSD11B1 (0.39) HSD11B1FASNPSDKITUSP30
SCHEMBL4755201 0.82 HSD11B1 (0.38) HSD11B1FASNPSDKITUSP30
SCHEMBL13746898 0.76 HSD11B1 (0.39) HSD11B1FASNPSDKIT
SCHEMBL4756614 0.69 KDM4E (0.33)
SCHEMBL13747135 0.67 HSD11B1 (0.35) HSD11B1FASNKIT
SCHEMBL13985227 0.66 NOTUM (0.39) HSD11B1
SCHEMBL4753233 0.65 PDE9A (0.37) HSD11B1PSDKITUSP30
SCHEMBL4755759 0.63 LMNA (0.37)
SCHEMBL4022798 0.63 HSD11B1 (0.37) HSD11B1
SCHEMBL4753279 0.62 FASN (0.32) HSD11B1FASNPSDKITUSP30

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