SCHEMBL29535360

SCHEMBL29535360

c1ccc(-c2ccc(S[S+](c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KIF11 P52732 1/20 0.38
CYP1A2 P05177 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP3 P08254 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PTGS2 P35354 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL29466935 0.92 KIF11 (0.38) ALDH1A1KIF11CYP1A2TAAR1HSD17B10
SCHEMBL38652183 0.92 KIF11 (0.38) ALDH1A1KIF11CYP1A2TAAR1HSD17B10
SCHEMBL31290715 0.85 MAPT (0.43) ALDH1A1HSD17B10MAPK1MAPTHPGD
SCHEMBL31412242 0.77 MAPT (0.36) ALDH1A1HSD17B10MAPK1MAPTHPGD
SCHEMBL6658830 0.77 MAPT (0.36) ALDH1A1HSD17B10MAPK1MAPTHPGD
Biphenyl SCHEMBL6763090 0.75 ALDH1A1 (0.50) ALDH1A1KIF11CYP1A2TAAR1HSD17B10
SCHEMBL10015849 0.71 ALDH1A1 (0.39) ALDH1A1CYP1A2TAAR1HSD17B10MAPK1
SCHEMBL30782728 0.71 ALDH1A1 (0.39) ALDH1A1CYP1A2TAAR1HSD17B10MAPK1
SCHEMBL9443770 0.70 ALDH1A1 (0.38) ALDH1A1KIF11CYP1A2TAAR1HSD17B10
SCHEMBL21603033 0.69 ALDH1A1 (0.56) ALDH1A1KIF11CYP1A2TAAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115820037-A Ink composition and electronic device including film formed using ink composition 三星显示有限公司 2023-03-21 CN disclosed
CN-115820036-A Ink composition and electronic device including film formed using ink composition 三星显示有限公司 2023-03-21 CN disclosed
CN-111500227-B UV curable epoxy/acrylate adhesive compositions 3M创新有限公司 2022-04-22 CN disclosed