SCHEMBL20580445

SCHEMBL20580445

CC(C)c1ccccc1N=C=N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
GABRA1 P14867 3/20 0.40
GABRB2 P47870 2/20 0.40
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
FAAH O00519 2/20 0.37
TSHR P16473 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37

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
Isobutane SCHEMBL27755503 0.98 SIGMAR1 (0.40) SIGMAR1NOS3NOS1NOS2GRIN2D
Ethane SCHEMBL27734968 0.98 SIGMAR1 (0.40) SIGMAR1NOS3NOS1NOS2GRIN2D
Butane SCHEMBL27755689 0.93 NOS3 (0.44) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL160103 0.83 SIGMAR1 (0.43) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL578079 0.82 GABRA1 (0.38) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL29135837 0.81 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2GRIN2D
Ethane SCHEMBL15090384 0.81 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2GRIN2D
Isobutane SCHEMBL27956334 0.81 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL462794 0.79 CYP3A4 (0.52) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL1022343 0.79 ALDH1A1 (0.47) SIGMAR1NOS3NOS1NOS2GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283666-A Preparation method of high-purity 4,4' -diphenylmethane diisocyanate 万华生态科技有限公司 2023-06-23 CN claimed
CN-102003840-A A refrigerating air conditioner using 2,3,3,3-tetrafluoropropene HITACHI APPLIANCES INC 2011-04-06 CN claimed
CN-116283666-A Preparation method of high-purity 4,4' -diphenylmethane diisocyanate 万华生态科技有限公司 2023-06-23 CN disclosed
EP-3941962-A1 A METHOD FOR THE COMBINED PROCESSING OF AT LEAST TWO POLYMER MELTS BASF SE (DE) 2022-01-26 EP disclosed
CN-108713044-B Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2021-08-17 CN disclosed
CN-108431131-B Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2021-06-01 CN disclosed
WO-2020187596-A1 A method for the combined processing of at least two polymer melts BASF SE (DE) 2020-09-24 WO disclosed
CN-111372972-A Process for purifying aliphatic polyesters 巴斯夫欧洲公司 2020-07-03 CN disclosed
CN-107533878-B Electric insulating oil base oil for oil-filled electrical equipment, electric insulating oil containing same, and oil-filled electrical equipment 日新电机株式会社 2020-03-10 CN disclosed
US-20180355113-A1 POLYCARBONATE-BASED RESIN COMPOSITION AND MOLDED ARTICLE THEREOF IDEMITSU KOSAN CO., LTD. (JP) 2018-12-13 US disclosed
CN-108884306-A Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2018-11-23 CN disclosed
CN-101583667-A Resin composition and molded article produced therefrom UNITIKA LTD (JP) 2009-11-18 CN disclosed
CN-101528994-A Polylactic acid fiber and method for producing same TEIJIN LTD (JP) 2009-09-09 CN disclosed
CN-101495569-A Resin composition, method for producing same, and molded article TEIJIN LTD (JP) 2009-07-29 CN disclosed
CN-101415774-A Polylactic acid resin composition and molded article NIPPON ELECTRIC CO (JP) 2009-04-22 CN disclosed
CN-101384662-A Polylactic acid resin composition and molded article NIPPON ELECTRIC CO (JP) 2009-03-11 CN disclosed
CN-101163743-A Biodegradable resin composition, and molded body and production method thereof UNITIKA LTD (JP) 2008-04-16 CN disclosed
CN-1993775-A Electrical insulation oil JAPAN ENERGY CORP (JP) 2007-07-04 CN disclosed
CN-1288228-C Lubricating oil compound for freezer JAPAN ENERGY CORP (JP) 2006-12-06 CN disclosed
CN-1396246-A Lubricating oil compound for freezer JAPAN ENERGY CORP (JP) 2003-02-12 CN disclosed