SCHEMBL3144271

SCHEMBL3144271

N#CC(C#N)=C1NC(=N)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
RCE1 Q9Y256 2/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR35 Q9HC97 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8524149 0.77 GSK3B (0.52) GAAALDH1A1MAPTHTTMEN1
SCHEMBL23171281 0.76 HPGD (0.44) GAAALDH1A1MAPTHTTMEN1
SCHEMBL10632150 0.76 HPGD (0.44) GAAALDH1A1MAPTHTTMEN1
SCHEMBL17951849 0.74 GAA (0.43) GAAALDH1A1MAPTHTTMEN1
SCHEMBL3144556 0.74 ALDH1A1 (0.47) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL11270482 0.74 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL3144562 0.74 ALDH1A1 (0.47) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL1176176 0.73 CYP2C19 (0.41) GAAALDH1A1MAPTHTTMEN1
SCHEMBL3139922 0.73 IDO1 (0.54) GAAALDH1A1MAPTHTTMEN1
SCHEMBL23171070 0.73 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134189-A Isocyanate, Imino Compound, Polymeric Binder MITSUBISHI PAPER MILLS LIMITED (JP) 1992-07-28 US claimed
EP-3031611-B1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD (JP) 2017-09-27 EP disclosed
EP-3048156-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-3048155-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-3031611-A1 THERMAL RECORDING MATERIAL Mitsubishi Paper Mills Limited (JP) 2016-06-15 EP disclosed
US-8980790-B2 Thermosensitive multiple recording sheet and method for producing the same OJI PAPER CO., LTD. (JP) 2015-03-17 US disclosed
US-20120274059-A1 THERMOSENSITIVE MULTIPLE RECORDING SHEET AND METHOD FOR PRODUCING THE SAME OJI PAPER CO., LTD. (JP) 2012-11-01 US disclosed
US-8252138-B2 Thermosensitive multiple recording sheet and method for producing the same OJI PAPER CO., LTD. (JP) 2012-08-28 US disclosed
US-20100003467-A1 THERMOSENSITIVE MULTIPLE RECORDING SHEET AND METHOD FOR PRODUCING THE SAME OJI PAPER CO., LTD. (JP) 2010-01-07 US disclosed
US-20070104081-A1 Recording sheet OJI PAPER CO., LTD. (JP) 2007-05-10 US disclosed
US-5036039-A Aromatic isocyanate and imine MITSUBISHI PAPER MILLS LIMITED (JP) 1991-07-30 US disclosed
EP-0427929-A2 Heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1991-05-22 EP disclosed
US-4983569-A Color-forming layer comprising a fluorene dye chromogen, a developer, an isocyanate and an imino compound; infrared absorption; storage stability; colorfastness MITSUBISHI PAPER MILLS (JP) 1991-01-08 US disclosed
US-4965237-A AROMATICITY-POSESSING ISOCYANATE COMPOUND, IMINO COMPOUND, AND ANILINE DERIVATIVE MITSUBISHI PAPER MILLS, LTD. (JP) 1990-10-23 US disclosed
US-4880767-A COLOR FORMING SYSTEMS, FLUORENE DYES, DYE DEVELOPERS MITSUBISHI PAPER MILLS (JP) 1989-11-14 US disclosed
US-4824824-A COLOR FORMING AROMATIC ISOCYANATES AND IMINE COMPOUNDS MITSUBISHI PAPER MILLS, LTD. (JP) 1989-04-25 US disclosed
US-4758663-A Isoindoline compound BASF AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
EP-0101741-B1 COLORING METHOD AND COLOR-FORMING MATERIAL Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-05-20 EP disclosed
US-4521793-A Coloring method and color-forming material ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-04 US disclosed
EP-0101741-A1 COLORING METHOD AND COLOR-FORMING MATERIAL Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-03-07 EP disclosed