SCHEMBL636848

SCHEMBL636848

Cc1ccc(N(C(=N)N)c2ccc(C)cc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 3/20 0.33
IDO1 P14902 2/20 0.33
TSHR P16473 1/20 0.33
WDR5 P61964 1/20 0.33
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
C1S P09871 1/20 0.31
LMNA P02545 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30

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
SCHEMBL636790 0.90 ALDH1A1 (0.39) TDP1TP53KDM4EALDH1A1TSHR
SCHEMBL4888186 0.89 TDP1 (0.40) TDP1TP53KDM4EALDH1A1IDO1
SCHEMBL158673 0.81 ALDH1A1 (0.44) TDP1ALDH1A1IDO1TSHRWDR5
Hydrochloric Acid SCHEMBL5809829 0.79 IDO1 (0.44) TDP1ALDH1A1IDO1TSHRWDR5
SCHEMBL6037516 0.74 MAPK14 (0.42) ALDH1A1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL11430823 0.74 ALDH1A1 (0.47) ALDH1A1IDO1TSHRMEN1KMT2A
SCHEMBL636495 0.74 ALDH1A1 (0.47) ALDH1A1IDO1TSHRMEN1KMT2A
SCHEMBL6037549 0.72 ESR1 (0.38) TDP1TP53KDM4EALDH1A1HSD17B1
SCHEMBL9316236 0.71 PRSS1 (0.33) PRSS1PRSS2PRSS3
SCHEMBL30876209 0.71 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642718-B2 Curable composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-02-04 US disclosed
EP-1882713-B1 CURABLE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2013-07-03 EP disclosed
US-8394920-B2 Composition for resin and optical lens obtained therefrom MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-03-12 US disclosed
EP-1775315-B1 POLYMERIZABLE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2012-02-22 EP disclosed
US-8013084-B2 Manufacturing method and apparatus of optical material SEIKO EPSON CORPORATION (JP) 2011-09-06 US disclosed
EP-1398317-B1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2011-01-12 EP disclosed
US-20100331515-A1 COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-30 US disclosed
EP-2243798-A1 COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM Mitsubishi Gas Chemical Company, Inc. (JP) 2010-10-27 EP disclosed
EP-1319966-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-05-26 EP disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed
US-20040158031-A1 Alicyclic compound for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-08-12 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
US-20040122201-A1 polysulfides; improved impact resistance MITSUBISHI GAS CHEMICAL COMPANY (JP) 2004-06-24 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
EP-1398317-A1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-17 EP disclosed
US-20040024165-A1 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-02-05 US disclosed
EP-1326095-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-07-09 EP disclosed
EP-1319966-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-18 EP disclosed