SCHEMBL22564517

SCHEMBL22564517

CCSc1cccc(C(=O)Br)c1COc1ccn(S)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.33
MAPK1 P28482 3/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 4/20 0.33
ALDH1A1 P00352 3/20 0.32
NR1H4 Q96RI1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31
PKM P14618 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL22564272 0.90 NR1H4 (0.35) HSD17B10MAPK1MITFLMNATSHR
SCHEMBL22563986 0.89 HPGD (0.35) HSD17B10MAPK1MITFLMNATSHR
SCHEMBL22564337 0.89 HSD17B10 (0.33) HSD17B10MAPK1MITFLMNATSHR
SCHEMBL22564371 0.89
SCHEMBL22563956 0.89 HSD17B10 (0.33) HSD17B10MAPK1MITFLMNATSHR
SCHEMBL22564267 0.89 L3MBTL1 (0.32) HSD17B10LMNATSHRHTTNPSR1
SCHEMBL22564478 0.88 HSD17B10 (0.38) HSD17B10MAPK1MITFLMNATSHR
SCHEMBL18504737 0.88 HSD17B10 (0.36) HSD17B10MAPK1MITFLMNATSHR
SCHEMBL22563939 0.87 TSHR (0.38) HSD17B10MAPK1LMNATSHRNPSR1
SCHEMBL22564192 0.87 HPGD (0.35) HSD17B10MAPK1MITFLMNATSHR

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
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed