SCHEMBL196216

SCHEMBL196216

NC(=O)Nc1cccc(-c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.64
KMO O15229 1/20 0.54
MKNK1 Q9BUB5 8/20 0.52
MKNK2 Q9HBH9 8/20 0.52
MEN1 O00255 1/20 0.51
PSIP1 O75475 1/20 0.51
AXL P30530 1/20 0.51
KDR P35968 2/20 0.50
PLCG1 P19174 1/20 0.50
HDAC1 Q13547 1/20 0.49
ATR Q13535 1/20 0.49
KCNK3 O14649 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
PDPK1 O15530 1/20 0.48
AKT2 P31751 1/20 0.48
FGFR3 P22607 1/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL27811101 0.86 CNR1 (0.66) CNR1KMOMKNK1MKNK2MEN1
SCHEMBL11222723 0.84 CNR1 (0.64) CNR1KMOMEN1ATRALDH1A1
SCHEMBL29655934 0.81 RAB9A (0.65) MEN1ALDH1A1HTT
SCHEMBL162008 0.81 RAB9A (0.65) MEN1ALDH1A1HTT
SCHEMBL19538968 0.81 CYP3A4 (0.60) CNR1MEN1ALDH1A1
SCHEMBL19531638 0.81 HTT (0.67) CNR1KMOMEN1HDAC1ALDH1A1
SCHEMBL4082541 0.80 MGLL (0.72) CNR1HDAC1
SCHEMBL30164935 0.80 MGLL (0.72) CNR1HDAC1
Hydrochloric Acid SCHEMBL27677130 0.80 RAB9A (0.62) MEN1ALDH1A1HTT
SCHEMBL20557904 0.79 CNR1 (1.00) CNR1MEN1KDRCNR2

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
JP-2012500223-A 2012-01-05 JP claimed