SCHEMBL3229744

SCHEMBL3229744

N=C1NC(=N)c2cc3cc4ccccc4cc3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
HPGD P15428 4/20 0.41
HIF1A Q16665 3/20 0.41
TP53 P04637 3/20 0.41
HBB P68871 2/20 0.41
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
ALOX12 P18054 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33

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
SCHEMBL3218707 0.95 ALDH1A1 (0.43) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL9634019 0.76 CYP2A6 (0.46) TP53KMT2AKDM4EACHENOX1
SCHEMBL7583854 0.76 CYP2A6 (0.46) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL66860 0.73 GSK3B (0.43) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL4957649 0.73
Benz(B)Anthracene SCHEMBL17849077 0.72 ALDH1A1 (0.61) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL25181 0.72 ALDH1A1 (0.61) ALDH1A1HSD17B10CASP1CASP7HPGD
Benz(B)Anthracene SCHEMBL22352910 0.72 ALDH1A1 (0.61) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL22634171 0.72 ALDH1A1 (0.61) ALDH1A1HSD17B10CASP1CASP7HPGD
Benz(B)Anthracene SCHEMBL3474922 0.72 ALDH1A1 (0.61) ALDH1A1HSD17B10CASP1CASP7HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2554392-B1 HEAT-SENSITIVE RECORDING MATERIAL AND METHOD FOR MANUFACTURING THE SAME MITSUBISHI PAPER MILLS LTD (JP) 2016-05-11 EP disclosed
EP-2554392-A1 HEAT-SENSITIVE RECORDING MATERIAL AND METHOD FOR MANUFACTURING THE SAME Mitsubishi Paper Mills Limited (JP) 2013-02-06 EP disclosed
US-8183175-B2 Thermal recording material MITSUBISHI PAPER MILLS LIMITED (JP) 2012-05-22 US disclosed
US-20100062195-A1 Thermal recording material MITSUBISHI PAPER MILLS LIMITED (JP) 2010-03-11 US disclosed
US-20070026259-A1 Thermal recording material MITSUBISHI PAPER MILLS LIMITED (JP) 2007-02-01 US disclosed
US-5804529-A HEAT SENSITIVE RECORDING LAYER; BETWEEN TWO POLYMERIC OXYGEN BARRIER LAYERS MITSUBISHI PAPER MILLS LTD. (JP) 1998-09-08 US disclosed