SCHEMBL7147495

SCHEMBL7147495

COC(=O)c1ccccc1SCC=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.65
POLB P06746 2/20 0.65
KMT2A Q03164 2/20 0.51
CRBN Q96SW2 1/20 0.48
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CFTR P13569 1/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PKLR P30613 1/20 0.44
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL10144072 0.82 HSD17B10 (0.67) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL7364591 0.81 HSD17B10 (0.71) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL19847370 0.81 HSD17B10 (0.57) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL11954594 0.80 CYP1A2 (0.62) HSD17B10POLBKMT2ATSHRLMNA
SCHEMBL11082857 0.79 HSD17B10 (0.54) HSD17B10POLBKMT2ATSHRLMNA
SCHEMBL15143214 0.79 HSD17B10 (0.67) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL9660330 0.79 HSD17B10 (0.77) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL9661237 0.79 HSD17B10 (1.00) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL12629456 0.78 HSD17B10 (0.57) HSD17B10POLBKMT2ATSHRLMNA
SCHEMBL9661198 0.77 HSD17B10 (0.74) HSD17B10POLBKMT2ACRBNTSHR

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-2003057161-A2 BENZOTHIENO [3,2-c]PYRAZOLYL AND BENZOFURANO [3,2-c] PYRAZOLYL COMPOUNDS, THEIR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR AND INTERMEDIATE COMPOUNDS THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-17 WO disclosed