SCHEMBL444302

SCHEMBL444302

N#Cc1ccc2cc3ccccc3cc2c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
MAP2K2 P36507 2/20 0.41
MAP2K1 Q02750 2/20 0.41
ALDH1A1 P00352 6/20 0.40
HIF1A Q16665 1/20 0.40
CYP1B1 Q16678 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ANPEP P15144 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
KDM4E B2RXH2 5/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PDE9A O76083 1/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
Anthracene SCHEMBL28261733 0.89 CA1 (0.47) CA1CA2MAP2K2MAP2K1ALDH1A1
Anthracene SCHEMBL8322012 0.86 CA1 (0.50) CA1CA2MAP2K2MAP2K1ALDH1A1
SCHEMBL646163 0.82 CA1 (0.52) CA1CA2ALDH1A1HIF1ACYP1B1
SCHEMBL5211903 0.80 ALDH1A1 (0.50) CA1CA2MAP2K2MAP2K1ALDH1A1
SCHEMBL11554772 0.79 MAP2K2 (0.40) CA1CA2MAP2K2MAP2K1ALDH1A1
SCHEMBL4991243 0.79 MAPK1 (0.42) CA1CA2MAP2K2MAP2K1ALDH1A1
SCHEMBL5746520 0.79 ADORA2A (0.43) CA1CA2MAP2K2MAP2K1ALDH1A1
SCHEMBL5750401 0.79 CA1 (0.46) CA1CA2MAP2K2MAP2K1ALDH1A1
SCHEMBL819997 0.79 CA1 (0.52) CA1CA2ALDH1A1HIF1ACYP1B1
SCHEMBL29065571 0.78 CA1 (0.48) CA1CA2ALDH1A1HSD17B10ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1693703-B1 METHOD OF FIXING ORGANIC MOLECULE AND MICRO/NANO-ARTICLE NAT INST FOR MATERIALS SCIENCE (JP) 2014-03-26 EP 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
US-20090247420-A1 METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES NATIONAL SCIENCE FOUNDATION 2009-10-01 US claimed
US-20090167158-A1 Electroluminescent Devices MERCK PATENT GMBH (DE) 2009-07-02 US claimed
CN-100469786-C Method for synthesizing 16-dehydropregnenediol acetate or similar compounds CHINESE ACAD TECH INST PHYSICS (CN) 2009-03-18 CN claimed
US-20040023061-A1 Electroluminescent device ELAM-T LIMITED 2004-02-05 US claimed
US-20030215669-A1 Electroluminescent device ELAM-T LIMITED 2003-11-20 US claimed
WO-2003074629-A2 ELECTROLUMINESCENT DEVICE ELAM-T LIMITED (GB) 2003-09-12 WO claimed
EP-1338177-A2 ELECTROLUMINESCENT DEVICE Elam-T Limited (GB) 2003-08-27 EP claimed
EP-1336209-A2 ELECTROLUMINESCENT DEVICE Elam-T Limited (GB) 2003-08-20 EP claimed
WO-2003067679-A1 METHOD FOR FORMING ELECTROLUMINESCENT DEVICES ELAM-T LIMITED (GB) 2003-08-14 WO claimed
WO-2002075820-A1 ELECTROLUMINESCENT DEVICES ELAM-T LIMITED (GB) 2002-09-26 WO claimed
WO-2002043444-A2 ELECTROLUMINESCENT DEVICE ELAM-T LIMITED (GB) 2002-05-30 WO claimed
WO-2002043447-A2 ELECTROLUMINESCENT DEVICE ELAM-T LIMITED (GB) 2002-05-30 WO claimed
US-3981561-A Optically activated exciplex shutter/attenuator THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-09-21 US claimed