SCHEMBL13429415

SCHEMBL13429415

Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.78
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
EPHX2 P34913 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.51
TRPC3 Q13507 1/20 0.51
TRPC5 Q9UL62 1/20 0.51
NR3C1 P04150 1/20 0.50
F10 P00742 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL7321880 0.87 ORAI1 (1.00) ORAI1EPHX2SMN1; SMN2MAPTLMNA
SCHEMBL5208645 0.87 ORAI1 (1.00) ORAI1EPHX2SMN1; SMN2MAPTLMNA
SCHEMBL13429392 0.84 MAPT (0.69) ORAI1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12292897 0.84 ORAI1 (0.56) ORAI1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13429395 0.84 ORAI1 (0.56) ORAI1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16202075 0.83 POLB (0.55) ORAI1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7319875 0.82 ORAI1 (0.78) ORAI1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2420987 0.81 ORAI1 (0.52) ORAI1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13429393 0.81 MAPT (0.56) ORAI1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7325708 0.81 ORAI1 (0.79) ORAI1EPHX2MAPTTRPC3TRPC5

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
WO-2010048559-A2 PHENYLPYRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA INC. (US) 2010-04-29 WO disclosed