SCHEMBL27300646

SCHEMBL27300646

NCc1cccc(N=C=S)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 13/20 0.53
▸ NOS2 P35228 13/20 0.53
▸ NOS3 P29474 11/20 0.51
▸ PNMT P11086 1/20 0.48
▸ MIF P14174 1/20 0.48
▸ ENPP2 Q13822 1/20 0.44
▸ P2RY6 Q15077 1/20 0.44
▸ LOXL2 Q9Y4K0 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
SCHEMBL27979620 0.84 NOS1 (0.56) NOS1NOS2NOS3PNMTENPP2
SCHEMBL24422635 0.81 NOS1 (0.62) NOS1NOS2NOS3PNMTENPP2
SCHEMBL1435119 0.81 GABRA1 (0.48) MIFP2RY6
SCHEMBL27278789 0.81 NOS1 (0.53) NOS1NOS2NOS3PNMTENPP2
SCHEMBL3542545 0.81 NOS1 (0.49) NOS1NOS2NOS3MIFENPP2
SCHEMBL347355 0.81 MIF (0.48) NOS1NOS2PNMTMIFP2RY6
SCHEMBL16192966 0.79 P2RY6 (0.68) NOS1NOS2NOS3MIFP2RY6
SCHEMBL30574422 0.79 MIF (0.57) MIFP2RY6
SCHEMBL483888 0.79 MIF (0.67) NOS1PNMTMIFP2RY6
SCHEMBL28780514 0.78 MIF (0.50) NOS1MIFP2RY6

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705146-A 2- amino benzo [4,5] thieno [3,2-d] thiazole, derivative and its synthetic method 湘潭大学 2019-05-03 — — CN claimed
CN-109265382-A A kind of fluorine-containing thiocarbamates compound and its synthetic method 湖北科技学院 2019-01-25 — — CN claimed
CN-107188866-A A kind of synthetic method of the ketone compounds of polysubstituted thiazole 4 湖北科技学院 2017-09-22 — — CN claimed
CN-106966990-A A kind of synthetic method of the polysubstituted ketone compounds of 2 thiocarbamoyl imidazole quinoline 4 湖北科技学院 2017-07-21 — — CN claimed
CN-109705146-A 2- amino benzo [4,5] thieno [3,2-d] thiazole, derivative and its synthetic method 湘潭大学 2019-05-03 — — CN disclosed
CN-109575216-A Plastic optics polythiol compositions SKC株式会社 2019-04-05 — — CN disclosed
CN-109265382-A A kind of fluorine-containing thiocarbamates compound and its synthetic method 湖北科技学院 2019-01-25 — — CN disclosed
CN-108727559-A Polythiol composition, polymerizable composition for optical material and application thereof 三井化学株式会社 2018-11-02 — — CN disclosed
CN-108623773-A Polythiol composition, polymerizable composition for optical material, and use thereof 三井化学株式会社 2018-10-09 — — CN disclosed
CN-108559043-A Polythiol composition, polymerizable composition for optical material and application thereof 三井化学株式会社 2018-09-21 — — CN disclosed
CN-104271629-B Polythiol composition, polymerizable composition for optical material, and use thereof 三井化学株式会社 2018-05-11 — — CN disclosed
CN-107614487-A Manufacture method, polymerizable composition, polymerizable composition, resin, optical material and the lens of pentaerythrite mercapto-carboxylic ester 三井化学株式会社 2018-01-19 — — CN disclosed
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 — — CN disclosed
CN-101061160-A Metal-containing compound and use thereof MITSUI CHEMICALS INC (JP) 2007-10-24 — — CN disclosed
CN-1780822-A Use of derivatives of 2, 4-dihydro- 1,2,4 triazole-3-thione as inhibitors of the enzyme myeloperoxidase (MPO) ASTRAZENECA AB (SE) 2006-05-31 — — CN disclosed
CN-1239619-C Polythioalcohol, polymerizable compsn. resin and lens and process for preparing thio-alcohol compound MITSUI CHEMICALS INC (JP) 2006-02-01 — — CN disclosed
CN-1500081-A Thiohydantonins and use thereof for treating diabetes ʵ���Ҹ���Ү��˾ 2004-05-26 — — CN disclosed
CN-1317515-A Polythioalcohol, polymerizable compsn. resin and lens and process for preparing thio-alcohol compound MITSUI CHEMICALS INC (JP) 2001-10-17 — — CN disclosed
CN-1035253-C Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1997-06-25 — — CN disclosed
CN-1064272-A PYRANYL CYANOGUANIDINE DERIVATIVES SQUIBB & SONS INC (US) 1992-09-09 — — CN disclosed
Send feedback