SCHEMBL7960872

SCHEMBL7960872

O=C(Nc1scc(-c2ccccc2F)c1C(=O)O)c1nc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.51
KMT2A Q03164 11/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.46
NLRP3 Q96P20 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.42
ANO1 Q5XXA6 5/20 0.41
GRIN2C Q14957 1/20 0.40
MAPT P10636 2/20 0.39
ANO2 Q9NQ90 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1954204 0.90 MEN1 (0.47) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL1952286 0.90 MEN1 (0.47) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL1951770 0.89 ANO1 (0.48) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL1950114 0.89 ANO1 (0.52) MEN1KMT2ARAB9ANLRP3ANO1
SCHEMBL1954798 0.88 MEN1 (0.49) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL1950371 0.88 MEN1 (0.45) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL1953939 0.87 ANO1 (0.49) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL1897405 0.87 MEN1 (0.51) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL1953075 0.87 ANO1 (0.44) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL1952449 0.86 ANO1 (0.44) MEN1KMT2ANPC1RAB9ANLRP3

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-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 WO disclosed