SCHEMBL8990624

SCHEMBL8990624

[O-][S+](c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
HSD17B10 Q99714 5/20 0.39
CYP2A6 P11509 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 5/20 0.37
HPGD P15428 3/20 0.37
CYP3A4 P08684 2/20 0.37
KEAP1 Q14145 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
HPRT1 P00492 1/20 0.36
CDC25B P30305 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 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
SCHEMBL2163499 0.87 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL12283589 0.85 CYP2A6 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL30951258 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29973074 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL98512 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL98432 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Bromide SCHEMBL3137561 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Perchlorate SCHEMBL3140950 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL28348708 0.76 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3678185 0.75 HPRT1 (0.58) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103333093-B Synthesis method of 1-arylsulfenylnaphthalene compound UNIV WENZHOU 2014-12-10 CN disclosed
CN-103333093-A Synthesis method of 1-arylsulfenylnaphthalene compound UNIV WENZHOU 2013-10-02 CN disclosed
EP-0514835-B1 Elastomers and products having reduced hysteresis properties BRIDGESTONE CORP (JP) 1996-07-17 EP disclosed
EP-0514835-A1 Elastomers and products having reduced hysteresis properties BRIDGESTONE CORPORATION (JP) 1992-11-25 EP disclosed
US-5151469-A Curing an anionic polymer in the presence of a catalyst BRIDGESTONE CORPORATION (JP) 1992-09-29 US disclosed