SCHEMBL29026472

SCHEMBL29026472

Oc1ccc(SCc2ccc3ccccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
CYP1A2 P05177 3/20 0.48
DAO P14920 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CYP2A6 P11509 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL31307788 0.86 DAO (0.45) CYP1A2DAOCYP2A6CA12CA1
SCHEMBL29402141 0.85 CYP1A2 (0.50) CYP1A2DAOCYP2A6CA12CA1
SCHEMBL9009753 0.85 CYP1A2 (0.50) CYP1A2DAOCYP2A6CA12CA1
SCHEMBL5376438 0.83 ALDH1A1 (0.54) CYP1A2DAOCYP2A6CA12CA1
SCHEMBL31307765 0.83 CYP1A2 (0.44) CYP1A2DAOCYP2A6CA12CA1
SCHEMBL8585678 0.82 CYP1A2 (0.52) ALOX5CYP1A2DAOESR1ESR2
SCHEMBL3241580 0.79 MEN1 (0.50) ESR1ESR2CA2MEN1NPC1
SCHEMBL7598339 0.77 MEN1 (0.53) DAOMEN1NPC1RAB9AKMT2A
SCHEMBL338116 0.77 MAOA (0.58) CYP1A2DAOMEN1NPC1KMT2A
SCHEMBL3901203 0.77 CYP3A4 (0.52) CYP1A2DAOESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118749013-A Resin composition, cured product, electronic component, and display device 东丽株式会社 2024-10-08 CN disclosed
CN-118369596-A Resin composition for lens, cured product for lens, and lens 三井化学株式会社 2024-07-19 CN disclosed
CN-118284274-A Charge-transporting varnish 日产化学株式会社 2024-07-02 CN disclosed
CN-117586478-A Curable composition, cured product thereof, and wafer level lens 株式会社大赛璐 2024-02-23 CN disclosed
CN-117546089-A Photosensitive resin composition, photosensitive resin coating, photosensitive dry film, and pattern forming method 信越化学工业株式会社 2024-02-09 CN disclosed
CN-116997858-A Negative photosensitive resin composition, negative photosensitive resin composition film, cured product, method for producing cured product, hollow structure, and electronic component 东丽株式会社 2023-11-03 CN disclosed
CN-116710846-A Photosensitive resin composition, photosensitive resin coating film, photosensitive dry film, and pattern forming method 信越化学工业株式会社 2023-09-05 CN disclosed
CN-116194508-A Sealant, cured body, organic electroluminescent display device, and method for manufacturing organic electroluminescent display device 电化株式会社 2023-05-30 CN disclosed