SCHEMBL2852336

SCHEMBL2852336

O=C(O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.74
POLB P06746 2/20 0.74
MAPT P10636 2/20 0.74
KEAP1 Q14145 7/20 0.61
NFE2L2 Q16236 7/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPK14 Q16539 1/20 0.55
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46
NOTUM Q6P988 1/20 0.46

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
SCHEMBL30147306 0.88 MAPT (0.57) SMN1; SMN2POLBMAPTKEAP1NFE2L2
SCHEMBL2296037 0.86 POLB (0.74) SMN1; SMN2POLBMAPTKEAP1NFE2L2
SCHEMBL2850399 0.86 MAPT (0.74) SMN1; SMN2POLBMAPTKEAP1NFE2L2
SCHEMBL595690 0.86 MAPT (1.00) SMN1; SMN2POLBMAPTKEAP1NFE2L2
SCHEMBL2871525 0.85 MAPT (0.72) SMN1; SMN2POLBMAPTKEAP1NFE2L2
SCHEMBL2856265 0.83 MAPT (0.78) SMN1; SMN2POLBMAPTKEAP1NFE2L2
SCHEMBL2858203 0.82 MAPT (0.68) SMN1; SMN2POLBMAPTKEAP1NFE2L2
SCHEMBL31252567 0.82 MAPT (0.67) SMN1; SMN2POLBMAPTKEAP1NFE2L2
SCHEMBL26125572 0.82 MAPT (0.67) SMN1; SMN2POLBMAPTKEAP1NFE2L2
SCHEMBL15779140 0.81 MAPK14 (0.57) SMN1; SMN2POLBMAPTKEAP1NFE2L2

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