SCHEMBL6929092

SCHEMBL6929092

Cc1ccc(-c2csc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)cc1N=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.46
KMT2A Q03164 12/20 0.46
NPC1 O15118 3/20 0.43
PKM P14618 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ANO1 Q5XXA6 3/20 0.41
GRIN2C Q14957 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL1894769 0.90 MEN1 (0.50) MEN1KMT2ANPC1PKMALDH1A1
SCHEMBL1954089 0.88 MEN1 (0.51) MEN1KMT2ANPC1PKMALDH1A1
SCHEMBL1952324 0.86 MEN1 (0.48) MEN1KMT2ANPC1PKMALDH1A1
SCHEMBL14803205 0.84 MEN1 (0.45) MEN1KMT2ANPC1PKMALDH1A1
SCHEMBL2183410 0.84 MEN1 (0.47) MEN1KMT2ANPC1PKMALDH1A1
SCHEMBL1895872 0.84 ANO1 (0.52) MEN1KMT2ANPC1MAPTCASP3
SCHEMBL1899120 0.83 ANO1 (0.51) MEN1KMT2AANO1
SCHEMBL12271012 0.82 MEN1 (0.48) MEN1KMT2ANPC1PKMALDH1A1
SCHEMBL2180967 0.82 MEN1 (0.46) MEN1KMT2ANPC1PKMALDH1A1
SCHEMBL1953087 0.81 MEN1 (0.55) MEN1KMT2ANPC1PKMALDH1A1

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-2011109551-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-09-09 WO disclosed