SCHEMBL696552

SCHEMBL696552

COc1ccc(Cn2ccc(NC(=O)c3ccncc3)n2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
STIM1 Q13586 2/20 0.53
ORAI1 Q96D31 2/20 0.53
ORAI3 Q9BRQ5 1/20 0.53
EPHX2 P34913 12/20 0.53
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
STAT3 P40763 1/20 0.43
PPARG P37231 4/20 0.43
KLKB1 P03952 1/20 0.43
BRAF P15056 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL756919 0.87 STIM1 (0.50) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL758485 0.87 STIM1 (0.54) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL761267 0.86 STIM1 (0.49) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL758944 0.84 STIM1 (0.76) SMN1; SMN2LMNAHTTNPSR1STIM1
SCHEMBL756846 0.84 STIM1 (0.62) SMN1; SMN2LMNASTIM1ORAI1ORAI3
SCHEMBL755784 0.83 STIM1 (0.61) SMN1; SMN2LMNAHTTNPSR1STIM1
SCHEMBL760682 0.83 STIM1 (0.54) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL758805 0.82 STIM1 (0.53) SMN1; SMN2LMNASTIM1ORAI1ORAI3
SCHEMBL757600 0.79 STIM1 (0.71) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL24336245 0.78 SMN1; SMN2 (0.66) SMN1; SMN2LMNATSHRHTTNPSR1

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-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed