SCHEMBL10691191

SCHEMBL10691191

CCSc1nc(C)c(CC(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CDK2 P24941 1/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL10688579 0.87 LDHA (0.40) ALDH1A1HSD17B10GAAL3MBTL1PTGDR2
SCHEMBL9749252 0.87 GAA (0.51) ALDH1A1HSD17B10GAAL3MBTL1PTGDR2
SCHEMBL11120071 0.85 GAA (0.36) ALDH1A1HSD17B10GAAL3MBTL1PTGDR2
SCHEMBL10360134 0.84 PTGDR2 (0.39) ALDH1A1GAAL3MBTL1PTGDR2KMT2A
SCHEMBL10694025 0.84 APEX1 (0.53) ALDH1A1HSD17B10GAAL3MBTL1SMN1; SMN2
SCHEMBL46644 0.83 LMNA (0.40) ALDH1A1GAAL3MBTL1PTGDR2KMT2A
SCHEMBL7818029 0.83 APEX1 (0.37) ALDH1A1HSD17B10GAAL3MBTL1PTGDR2
Tiprotimod SCHEMBL1684013 0.83 APEX1 (0.44) ALDH1A1HSD17B10GAAL3MBTL1RAB9A
SCHEMBL10690778 0.81 APEX1 (0.42) ALDH1A1HSD17B10GAAL3MBTL1SMN1; SMN2
SCHEMBL3731990 0.81 PTGDR2 (0.37) ALDH1A1GAAL3MBTL1PTGDR2KMT2A

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
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed