SCHEMBL2852124

SCHEMBL2852124

CCOC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)n3)c2C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC1 P48995 1/20 0.51
TRPC3 Q13507 1/20 0.51
STIM1 Q13586 1/20 0.51
ORAI1 Q96D31 1/20 0.51
STIM2 Q9P246 1/20 0.51
GUCY1A1 Q02108 1/20 0.49
GUCY1B1 Q02153 1/20 0.49
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
NR3C1 P04150 1/20 0.46
MALT1 Q9UDY8 4/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL1782567 0.86 GUCY1A1 (0.62) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2854006 0.85 NPC1 (0.54) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2856215 0.83 MAPT (0.66) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2855555 0.83 TRPC1 (0.61) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2850770 0.82 TRPC1 (0.53) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2850226 0.82 MALT1 (0.56) MALT1
SCHEMBL2854123 0.81 TRPC1 (0.63) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2852073 0.79 MAPT (0.71) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL3033818 0.79 GUCY1A1 (0.54) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL15187958 0.77 KEAP1 (0.50) GUCY1A1GUCY1B1MAPTSMN1; SMN2MEN1

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