SCHEMBL14020262

SCHEMBL14020262

NCn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
CNR1 P21554 6/20 0.41
CNR2 P34972 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL4788342 0.90 CRHR1 (0.46) MAPTMAPK8MAPK9KDM4EMAPK1
SCHEMBL4789197 0.88 CNR1 (0.43) MAPTMAPK8MAPK9KDM4EMAPK1
SCHEMBL4751343 0.87 TDP2 (0.41) MAPTMAPK8MAPK9KDM4EMAPK1
SCHEMBL4788229 0.87 MAPT (0.39) MAPTMAPK8MAPK9KDM4EMAPK1
SCHEMBL4787160 0.84 MAPT (0.45) MAPTKDM4EMAPK1CNR1CNR2
SCHEMBL4786903 0.84 CNR1 (0.43) CNR1CNR2KMT2ACYP2C9CYP2C19
SCHEMBL14020279 0.82 MAPT (0.43) MAPTKDM4EMAPK1CNR1CNR2
SCHEMBL4787973 0.79 CNR1 (0.47) MAPTKDM4EMAPK1CNR1CNR2
SCHEMBL1753008 0.76 MAPT (0.69) MAPTKDM4EMAPK1SMN1; SMN2KMT2A
SCHEMBL1689384 0.75 GRM1 (0.47) MAPTKDM4EMAPK1CNR1CNR2

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-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed