SCHEMBL4177976

SCHEMBL4177976

COc1ccc2c(Cl)cc(-c3c[nH]nc3CC(C)C)nc2c1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
RAD52 P43351 1/20 0.31
PDE10A Q9Y233 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
PDPK1 O15530 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
PDE4D Q08499 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
SCHEMBL4177972 0.90 SLC10A2 (0.33) KMT2ARAD52KDM4EGAAHTT
SCHEMBL4185269 0.88 KDM4E (0.34) KMT2ARAD52KDM4EHTTPDPK1
SCHEMBL4183205 0.87 KDM4E (0.33) KMT2ATRPM8RAD52PDE10AKDM4E
SCHEMBL4189834 0.86 MAPK1 (0.37) KMT2ARAD52KDM4EHTTPDPK1
SCHEMBL4182671 0.83 KDR (0.35) KMT2AKDM4EGAAHTTPDE4D
SCHEMBL4177982 0.78 ACHE (0.40) KDM4EPDPK1
SCHEMBL4191730 0.77 SLC10A2 (0.33) KMT2ARAD52GAAHTTPDE4D
SCHEMBL4182845 0.75 MAPT (0.34) KMT2ARAD52PDE10AKDM4EGAA
SCHEMBL4178311 0.73 PDE10A (0.35) KMT2ARAD52PDE10AKDM4EGAA
SCHEMBL4177973 0.72 FGFR1 (0.41) PDPK1

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-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed