SCHEMBL2857725

SCHEMBL2857725

CCOC(=O)CN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
CCR1 P32246 5/20 0.46
TRPC1 P48995 2/20 0.41
TRPC3 Q13507 2/20 0.41
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
STIM2 Q9P246 2/20 0.41
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
PTGS2 P35354 1/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
GPR6 P46095 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 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
SCHEMBL2859852 0.89 CCR1 (0.49) MAPTCCR1TRPC3KEAP1NFE2L2
SCHEMBL2854294 0.85 CCR1 (0.48) MAPTCCR1TRPC3KEAP1NFE2L2
SCHEMBL2860192 0.85 CCR1 (0.50) MAPTCCR1KEAP1NFE2L2KMT2A
SCHEMBL2850444 0.85 CCR1 (0.46) MAPTCCR1KEAP1NFE2L2KMT2A
SCHEMBL2860237 0.79 MAPT (0.56) MAPTCCR1TRPC1TRPC3STIM1
SCHEMBL13513684 0.73 CCR1 (0.54) MAPTCCR1KEAP1NFE2L2KMT2A
SCHEMBL2325526 0.73 MAPT (0.76) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2860236 0.71 MAPT (0.62) MAPTCCR1TRPC1TRPC3STIM1
SCHEMBL10366449 0.71 MAPT (0.53) MAPTCCR1TRPC1TRPC3STIM1
SCHEMBL2854414 0.69 MAPT (0.53) MAPTCCR1TRPC1TRPC3STIM1

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