SCHEMBL2852073

SCHEMBL2852073

CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
TRPC1 P48995 1/20 0.61
TRPC3 Q13507 1/20 0.61
STIM1 Q13586 1/20 0.61
ORAI1 Q96D31 1/20 0.61
STIM2 Q9P246 1/20 0.61
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
MET P08581 1/20 0.49
AXL P30530 1/20 0.49
NR3C1 P04150 4/20 0.48
EPHX2 P34913 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
PDK1 Q15118 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
SCHEMBL2854123 0.90 TRPC1 (0.63) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2856215 0.90 MAPT (0.66) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2855555 0.89 TRPC1 (0.61) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2849153 0.83 MAPT (0.56) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2850770 0.83 TRPC1 (0.53) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL8140350 0.82 MAPT (0.71) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2854006 0.80 NPC1 (0.54) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2852124 0.79 TRPC1 (0.51) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2853811 0.79 SMN1; SMN2 (0.60) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL21929518 0.77 NPC1 (0.55) MAPTTRPC1TRPC3STIM1ORAI1

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 disclosed