SCHEMBL9837164

SCHEMBL9837164

COC(=O)c1ccc2sc(C(O)c3ccccc3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SCD O00767 1/20 0.41
HDAC1 Q13547 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
PTPN11 Q06124 1/20 0.40
PPARA Q07869 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ROCK2 O75116 1/20 0.39
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL9612645 0.82 SMN1; SMN2 (0.46) HDAC1ALDH1A1GAAHTTALOX15
SCHEMBL3280295 0.76 MLKL (0.44) GAAHTTALOX15
SCHEMBL1883961 0.75 HDAC1 (0.60) TSHRHDAC1HTTALOX15PTPN11
SCHEMBL30251598 0.74 TSHR (0.64) TSHRL3MBTL1ALDH1A1GAAPPARA
SCHEMBL866718 0.74 TSHR (0.64) TSHRL3MBTL1ALDH1A1GAAPPARA
SCHEMBL477483 0.74 HPGD (0.49) GAAALOX15CA12CA1CA2
SCHEMBL19029299 0.73 HDAC1 (0.50) HDAC1ALDH1A1GAAHTTALOX15
SCHEMBL15697489 0.73 HDAC1 (0.61) HDAC1ALDH1A1HTTALOX15PTPN11
SCHEMBL3340488 0.73 TSHR (0.58) TSHRL3MBTL1ALDH1A1GAAPPARA
SCHEMBL6299396 0.73 HDAC1 (0.50) HDAC1ALDH1A1GAAHTTALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
CN-87102672-A Thioindol derivatives, process for their preparation and their use 1987-11-04 CN disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed