SCHEMBL2854221

SCHEMBL2854221

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSP90AA1 P07900 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 2/20 0.47
CCR1 P32246 3/20 0.46
NPY5R Q15761 1/20 0.45
SLC2A1 P11166 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 1/20 0.44
NTRK1 P04629 2/20 0.43
CDK19 Q9BWU1 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL2850258 0.92 MAPT (0.51) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL2854287 0.91 MAPT (0.52) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL2854572 0.90 RAB9A (0.44) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL2852565 0.90 MAPT (0.42) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL2852360 0.89 MAPT (0.42) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL2853258 0.89 NPY5R (0.45) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL2848615 0.89 MAPT (0.44) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL2853385 0.89 MAPT (0.42) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL2848317 0.89 MAPT (0.46) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL2860939 0.88 LMNA (0.45) MAPTNPSR1MEN1KMT2ACCR1

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