SCHEMBL16564136

SCHEMBL16564136

Cn1nc(C(F)(F)F)cc1NC(=O)c1cc(-c2c(F)cccc2Cl)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.43
▸ MAPK14 Q16539 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ FLT3 P36888 2/20 0.39
▸ ROCK1 Q13464 1/20 0.38
▸ STIM1 Q13586 2/20 0.37
▸ ORAI1 Q96D31 2/20 0.37
▸ PRNP P04156 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ CBLB Q13191 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL16563685 0.90 STIM1 (0.45) ALOX15MAPK14LMNASTIM1ORAI1
SCHEMBL16564132 0.87 KMT2A (0.44) ALOX15LMNAMAPT
SCHEMBL16563648 0.83 MAPT (0.52) STIM1ORAI1MAPT
SCHEMBL16563558 0.83 ROCK1 (0.47) ROCK1MAPTTRPV1
SCHEMBL16563773 0.82 MAPT (0.43) MAPT
SCHEMBL16563560 0.81 STIM1 (0.41) MAPK14LMNAFLT3STIM1ORAI1
SCHEMBL16563759 0.78 STIM1 (0.41) ALOX15MAPK14FLT3ROCK1STIM1
SCHEMBL16563837 0.78 ALDH1A1 (0.39) ALOX15LMNAROCK1MAPTTSHR
SCHEMBL16563942 0.76 KDM4E (0.40) LMNAROCK1
SCHEMBL16563570 0.76 HTT (0.40) ALOX15LMNAMAPTTSHR

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-2848615-A1 New pyrazole derivatives as CRAC channel modulators Almirall, S.A. (ES) 2015-03-18 — — EP claimed
EP-2848615-A1 New pyrazole derivatives as CRAC channel modulators Almirall, S.A. (ES) 2015-03-18 — — EP disclosed
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