SCHEMBL2856196

SCHEMBL2856196

O=C(O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
POLB P06746 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 3/20 0.49
KMT2A Q03164 3/20 0.49
ATM Q13315 1/20 0.49
KEAP1 Q14145 5/20 0.47
NFE2L2 Q16236 5/20 0.47
LMNA P02545 1/20 0.47
HSD11B1 P28845 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPC1 P48995 1/20 0.45
TRPC3 Q13507 1/20 0.45
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
STIM2 Q9P246 1/20 0.45

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
SCHEMBL2298403 0.86 MAPT (0.70) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL28798719 0.84 MAPT (0.62) MAPTPOLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL6319475 0.84 MAPT (0.53) MAPTPOLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL2300679 0.83 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL22209242 0.83 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2856265 0.83 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1064768 0.83 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL595690 0.83 MAPT (1.00) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL24303272 0.82 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2852811 0.82 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1

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