SCHEMBL10403518

SCHEMBL10403518

Cc1nc(SCNC([O])=O)sc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 6/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ NPC1 O15118 5/20 0.34
▸ GAA P10253 3/20 0.34
▸ MAPT P10636 2/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ RXFP1 Q9HBX9 2/20 0.31
▸ ALPI P09923 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10403521 0.88 ALOX5 (0.39) ALOX5ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL10402166 0.85 ALOX5 (0.39) ALOX5ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL10402167 0.77 ALOX5 (0.40) ALOX5ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL10404171 0.75 GAA (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL13277864 0.74 GAA (0.56) ALDH1A1HSD17B10RAB9AGAAMAPT
SCHEMBL10402680 0.73 ALDH1A1 (0.39) ALOX5ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL10402726 0.73 ALDH1A1 (0.42) ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A
SCHEMBL10968557 0.70 APEX1 (0.47) ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A
SCHEMBL10402728 0.70 ALDH1A1 (0.42) ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A
SCHEMBL10403183 0.69 ALOX5 (0.70) ALOX5ALDH1A1HSD17B10MAPK1SMN1; SMN2

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
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