SCHEMBL3260191

SCHEMBL3260191

Cc1cc(-c2csc(Nc3cccc(F)c3)c2C(=O)O)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
CSNK2A1 P68400 3/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
FES P07332 1/20 0.37
CSF1R P07333 1/20 0.37
LYN P07948 1/20 0.37
MET P08581 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
FER P16591 1/20 0.37

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
SCHEMBL2182245 0.84 CASP3 (0.50) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL12414132 0.76 CASP3 (0.62) L3MBTL1KMT2AMEN1MAPTLMNA
SCHEMBL14158668 0.74 CASP3 (0.54) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL27794247 0.72 MEN1 (0.58) SMN1; SMN2L3MBTL1KMT2AMEN1RAB9A
SCHEMBL12414151 0.71 KDM4E (0.41) L3MBTL1KMT2AMEN1KDM4ERAB9A
SCHEMBL3251954 0.71 MTOR (0.48) SMN1; SMN2CSNK2A1CSNK2A2CSNK2BL3MBTL1
SCHEMBL12414149 0.70 ANO1 (0.46) KMT2AMEN1NPC1
SCHEMBL12831287 0.70 KDM4E (0.44) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL2180308 0.69 ANO1 (0.45) KMT2AMEN1
SCHEMBL2179899 0.69 LMNA (0.43) KMT2AMEN1LMNAHTTRAB9A

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-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 WO disclosed