SCHEMBL2857341

SCHEMBL2857341

O=C(Nc1cccc(-c2ccccn2)c1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.52
CYP1A2 P05177 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 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
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PSD A5PKW4 1/20 0.38
JAK3 P52333 1/20 0.38
TP53 P04637 1/20 0.37
BRAF P15056 1/20 0.37
SCN5A Q14524 1/20 0.37

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 0.87 CNR1 (0.50) CNR1HTR2AHTR2CMAPTMEN1
SCHEMBL2857729 0.86 CNR1 (0.53) CNR1CYP1A2HTR2AHTR2CMAPT
SCHEMBL2850258 0.85 MAPT (0.51) CYP1A2MAPTMEN1KMT2AKDM4E
SCHEMBL2852516 0.85 MALT1 (0.39) CNR1MAPTMEN1KMT2AKDM4E
SCHEMBL2848317 0.84 MAPT (0.46) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL2860939 0.84 LMNA (0.45) CYP1A2MAPTMEN1KMT2ANPSR1
SCHEMBL2854221 0.84 MAPT (0.51) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2852565 0.84 MAPT (0.42) CNR1CYP1A2MAPTMEN1KMT2A
SCHEMBL2854572 0.84 RAB9A (0.44) CYP1A2MAPTMEN1KMT2AKDM4E
SCHEMBL2860829 0.83 TNKS (0.42) MAPTMEN1KMT2AKDM4EHSP90AA1

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