SCHEMBL14887347

SCHEMBL14887347

Cc1cc2c(cc1-c1ccc(NC(=O)c3nsc(Cl)c3Cl)cc1)OC(F)(F)O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 1/20 0.49
▸ SCN9A Q15858 1/20 0.42
▸ STIM1 Q13586 2/20 0.40
▸ ORAI1 Q96D31 2/20 0.40
▸ POLQ O75417 1/20 0.39
▸ ORAI2 Q96SN7 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IL2 P60568 2/20 0.35
▸ USP36 Q9P275 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ USP2 O75604 1/20 0.34

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
SCHEMBL16017235 0.92 RAB9A (0.46) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL16018173 0.80 STIM1 (0.49) RAB9ANPC1KDM4ESCN9ASTIM1
SCHEMBL16019820 0.79 KDM4E (0.54) RAB9ANPC1KDM4EMAPTLMNA
SCHEMBL14887339 0.79 BACE1 (0.44) KDM4ESMN1; SMN2SCN9ASTIM1ORAI1
SCHEMBL16019786 0.79 SCN9A (0.43) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL14887767 0.79 NAMPT (0.46) SCN9ASTIM1ORAI1POLQ
SCHEMBL16009312 0.78 ALDH1A1 (0.46) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL16017216 0.78 STIM1 (0.40) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL14881396 0.78 STIM1 (0.51) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL14887348 0.77 SCN9A (0.43) RAB9ANPC1KDM4ESCN9ASTIM1

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-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — WO disclosed
Send feedback