SCHEMBL2857729

SCHEMBL2857729

O=C(Nc1cccc(-c2cccnc2)c1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.53
MET P08581 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
CYP1A2 P05177 1/20 0.43
CNR2 P34972 1/20 0.41
EPHX2 P34913 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 1/20 0.39
KDR P35968 3/20 0.39
FGFR3 P22607 1/20 0.39
EGFR P00533 2/20 0.39
FGFR1 P11362 2/20 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
SCHEMBL2857946 0.92 CNR1 (0.50) CNR1METHTR2AHTR2CHTR2B
SCHEMBL2858436 0.90 MEN1 (0.46) CYP1A2MEN1MAPTKMT2AKDM4E
SCHEMBL2850258 0.87 MAPT (0.51) CYP1A2MEN1MAPTKMT2AKDM4E
SCHEMBL2857341 0.86 CNR1 (0.52) CNR1HTR2AHTR2CCYP1A2MEN1
SCHEMBL2854221 0.85 MAPT (0.51) CNR2MEN1MAPTKMT2AKDM4E
SCHEMBL2854572 0.85 RAB9A (0.44) CYP1A2MEN1MAPTKMT2AKDM4E
SCHEMBL2852565 0.85 MAPT (0.42) CNR1CYP1A2MEN1MAPTKMT2A
SCHEMBL2852516 0.84 MALT1 (0.39) CNR1METMEN1MAPTKMT2A
SCHEMBL2853385 0.84 MAPT (0.42) CYP1A2MEN1MAPTKMT2AKDM4E
SCHEMBL2852360 0.84 MAPT (0.42) MEN1MAPTKMT2AKDM4EHSP90AA1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed