SCHEMBL6007540

SCHEMBL6007540

Sc1cc(S)c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 5/20 0.44
HIF1A Q16665 2/20 0.44
CYP1B1 Q16678 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TRPM4 Q8TD43 1/20 0.39
CYP2A6 P11509 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 4/20 0.38
HTR2A P28223 1/20 0.38
NQO2 P16083 1/20 0.38
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPRT1 P00492 2/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL5688668 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL690094 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL15351789 0.78 CYP1A2 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL31157796 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL30991502 0.77
SCHEMBL4308375 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL12846618 0.77
SCHEMBL19469228 0.76 NQO2 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL1402276 0.76 CYP1A2 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL9500074 0.76 CYP2A6 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006066569-A2 IONOMERS AND IONOMER BLENDS BASED ON PARTIALLY FLUORINATED POLY(HETERO)ARYLS HÄRING, Thomas (DE) 2006-06-29 WO claimed
CN-107573483-B Composition capable of being cured into polythiourethane, polythiourethane and application thereof 科思创德国股份有限公司 2022-06-17 CN disclosed
CN-108504078-B Composition and preparation method and application thereof 科思创聚合物(中国)有限公司 2022-04-19 CN disclosed
CN-114080409-A Process for preparing compounds containing allophanate and/or thioallophanate groups 科思创知识产权两合公司 2022-02-22 CN disclosed
CN-114008098-A Polymerizable composition for optical material, and method for producing optical material 豪雅镜片泰国有限公司 2022-02-01 CN disclosed
CN-114008097-A Method for manufacturing spectacle lens, and spectacles 豪雅镜片泰国有限公司 2022-02-01 CN disclosed
CN-113527619-A Method for producing polymerizable composition for optical material, method for producing transparent resin, and method for producing lens base material 豪雅镜片泰国有限公司 2021-10-22 CN disclosed
CN-113527585-A Polymerizable composition for optical material and method for producing same, method for producing transparent resin, and method for producing lens base material 豪雅镜片泰国有限公司 2021-10-22 CN disclosed
CN-113512166-A Method for producing polymerizable composition for optical material, method for producing transparent resin, and method for producing lens base material 豪雅镜片泰国有限公司 2021-10-19 CN disclosed
WO-2006066569-A2 IONOMERS AND IONOMER BLENDS BASED ON PARTIALLY FLUORINATED POLY(HETERO)ARYLS HÄRING, Thomas (DE) 2006-06-29 WO disclosed