SCHEMBL2859362

SCHEMBL2859362

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.48
NPY5R Q15761 1/20 0.47
BRAF P15056 1/20 0.43
P2RY1 P47900 1/20 0.42
ABCB1 P08183 1/20 0.42
MAPT P10636 4/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC5A1 P13866 2/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR3C1 P04150 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
SCHEMBL2858311 0.91 RAB9A (0.47) BRAFMAPTCNR1MEN1KMT2A
SCHEMBL2850258 0.89 MAPT (0.51) NPY5RBRAFMAPTMEN1KMT2A
SCHEMBL2856867 0.88 NPC1 (0.53) NPY5RBRAFP2RY1MAPTGAA
SCHEMBL2854572 0.87 RAB9A (0.44) BRAFMAPTMEN1KMT2AGAA
SCHEMBL2854221 0.87 MAPT (0.51) P2RX1NPY5RMAPTMEN1KMT2A
SCHEMBL2852565 0.87 MAPT (0.42) BRAFMAPTCNR1MEN1KMT2A
SCHEMBL2853385 0.87 MAPT (0.42) BRAFMAPTMEN1KMT2AGAA
SCHEMBL2853258 0.87 NPY5R (0.45) NPY5RMAPTCNR1MEN1KMT2A
SCHEMBL2852360 0.87 MAPT (0.42) BRAFMAPTMEN1KMT2AALDH1A1
SCHEMBL2848615 0.87 MAPT (0.44) NPY5RBRAFMAPTMEN1KMT2A

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