SCHEMBL8356502

SCHEMBL8356502

COC(=O)c1nnc(NC(=O)CBr)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
GLS O94925 3/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL8353189 0.78 SMN1; SMN2 (0.61) HSD17B10GLSALDH1A1MAPTHPGD
SCHEMBL5759573 0.77 TP53 (0.71) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8356753 0.77 TP53 (0.46) HSD17B10GLSALDH1A1MAPTTP53
SCHEMBL25144949 0.77 ALDH1A1 (0.40) HSD17B10ALDH1A1MAPTHPGDTP53
SCHEMBL8351229 0.75 GLS (0.58) HSD17B10GLSALDH1A1MAPTHPGD
SCHEMBL8353625 0.73 GLS (0.63) HSD17B10GLSALDH1A1TP53CA12
SCHEMBL7367074 0.72 CES1 (0.41) HSD17B10GLSALDH1A1MAPTHPGD
SCHEMBL8358094 0.71 SMN1; SMN2 (0.82) HSD17B10ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL18352875 0.70 CES1 (0.42) HSD17B10ALDH1A1MAPTHPGDTP53
SCHEMBL8350034 0.70 POLB (0.68) HSD17B10SMN1; SMN2GAAPOLB

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-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed