SCHEMBL2854795

SCHEMBL2854795

O=C(NCc1ccc(C(F)(F)F)cc1)Oc1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.39
FAAH O00519 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK14 Q16539 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
ATG4B Q9Y4P1 1/20 0.37
NAMPT P43490 1/20 0.37
MTOR P42345 1/20 0.37
LSS P48449 1/20 0.36

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
SCHEMBL2857615 0.87 MTOR (0.37) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL2852454 0.84 KDM4E (0.48) SMN1; SMN2MAPTTDP1ALDH1A1FAAH
SCHEMBL2853347 0.84 TRPV1 (0.41) MAPTALDH1A1FAAHHPGDMAPK14
SCHEMBL2859091 0.83 CCR1 (0.46) NPC1RAB9AVNN1
SCHEMBL2853334 0.82 CCR1 (0.47) MAPTALDH1A1HPGDCNR1CNR2
SCHEMBL2860715 0.82 ALDH1A1 (0.46) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL2859298 0.82 DDR1 (0.49) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL2858156 0.81 MAPT (0.41) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL2857994 0.80 MTOR (0.46) MAPTNPC1RAB9ATDP1ALDH1A1
SCHEMBL2857758 0.80 TRPV1 (0.41) SMN1; SMN2MAPTNPC1RAB9ATRPV1

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