SCHEMBL646163

SCHEMBL646163

N#Cc1ccc2ccccc2c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ANPEP P15144 1/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
HPRT1 P00492 1/20 0.42

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
SCHEMBL29065571 0.96 CA1 (0.48) CA1CA2ALDH1A1KDM4EHSD17B10
Ethylene SCHEMBL27960904 0.96 CA1 (0.48) CA1CA2ALDH1A1KDM4EHSD17B10
Anthracene SCHEMBL28261733 0.94 CA1 (0.47) CA1CA2ALDH1A1KDM4EHSD17B10
SCHEMBL28241231 0.90 ANPEP (0.56) CA1CA2ALDH1A1KDM4EHSD17B10
SCHEMBL8828836 0.90 ANPEP (0.56) CA1CA2ALDH1A1KDM4EHSD17B10
SCHEMBL3245559 0.86 CA1 (0.52) CA1CA2ALDH1A1KDM4EHSD17B10
SCHEMBL21160352 0.86 CA1 (0.47) CA1CA2ALDH1A1KDM4EHSD17B10
SCHEMBL444302 0.82 CA1 (0.47) CA1CA2ALDH1A1KDM4EHSD17B10
SCHEMBL13948301 0.80 CA1 (0.53) CA1CA2ALDH1A1KDM4EHSD17B10
SCHEMBL27536480 0.79 CA1 (0.41) CA1CA2ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535032-B Poly-p-phenylethene derivative containing naphthalene ring structure and cyano group and preparation method and application thereof 黑龙江大学 2021-06-25 CN claimed
US-20190245198-A1 N-doped Si/C COMPOSITE AND MANUFACTURING METHOD THEREOF GET GREEN ENERGY CORP., LTD. (TW) 2019-08-08 US claimed
WO-2016205405-A1 COORDINATION POLYMER NDSU RESEARCH FOUNDATION (US) 2016-12-22 WO claimed
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
US-8779277-B2 Light energy conversion material KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2014-07-15 US claimed
US-8247680-B2 Light energy conversion material KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-08-21 US claimed
US-20120181163-A1 LIGHT ENERGY CONVERSION MATERIAL KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-07-19 US claimed
WO-2011134959-A1 REMOTE N-DOPING OF ORGANIC THIN FILM TRANSISTORS UNIVERSITY OF PRINCETON (US) 2011-11-03 WO claimed
US-20090247420-A1 METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES NATIONAL SCIENCE FOUNDATION 2009-10-01 US claimed
WO-2007070761-A2 METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER (US) 2007-06-21 WO claimed
US-5763601-A SOLUBILITY, PURITY Shirai, Hirofusa (JP) 1998-06-09 US claimed
US-5656752-A Preparation of naphthalocyanines BASF AKTIENGESELLSCHAFT (DE) 1997-08-12 US claimed
EP-0692002-B1 METHOD OF PREPARING NAPHTHALOCYANINES BASF AG (DE) 1996-12-27 EP claimed
EP-0134518-B1 NAPHTHALOCYANINE COMPOUNDS Yamamoto Chemicals, Inc. (JP) 1988-07-06 EP claimed
EP-0134518-A1 Naphthalocyanine compounds Yamamoto Chemicals, Inc. (JP) 1985-03-20 EP claimed
JP-7118273-A None JP disclosed
JP-11060580-A None JP disclosed
US-4064072-A VANADIUM BRONZE ON ALUMINA SUPPORT SUNTECH, INC. (US) 1977-12-20 US disclosed
US-4013705-A ALKALI METAL VANADIUM BRONZE CATALYST PROMOTED BY IRON SUNTECH, INC. (US) 1977-03-22 US disclosed