SCHEMBL1616780

SCHEMBL1616780

CN(C)c1ccc(C(=CC2(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3cc([N+](=O)[O-])ccc32)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RASGRP3 Q8IV61 2/20 0.40
PRKCA P17252 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BAZ1A Q9NRL2 1/20 0.38
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1616585 0.91 RASGRP3 (0.40) ALDH1A1TDP1CYP3A4HPGDHIF1A
SCHEMBL1617995 0.86 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4HPGDHIF1A
SCHEMBL1617056 0.83 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4HPGDHIF1A
SCHEMBL1618150 0.80 MAPT (0.45) ALDH1A1CYP3A4MAPTSMN1; SMN2MEN1
SCHEMBL1618496 0.80 HPGD (0.43) ALDH1A1TDP1CYP3A4HPGDHIF1A
SCHEMBL1618101 0.79 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4HPGDHIF1A
SCHEMBL9558118 0.78 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4HPGDHIF1A
SCHEMBL3400352 0.77 TDP1 (0.71) ALDH1A1TDP1CYP3A4HPGDHIF1A
SCHEMBL1618125 0.77 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4HPGDHIF1A
SCHEMBL1617795 0.76 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923488-B2 Leuco dyes with a N,N-dialkylamino, N,N-diarylamino, N-alkyl-N-arylamino, N-alkylamino, or N-arylamino group on one of the aromatic rings and a latent curing agent or catalyst activate-able by heat, pressure, or radiation TRILLION SCIENCE, INC. (US) 2011-04-12 US disclosed
US-20080090943-A1 Leuco dyes with a N,N-dialkylamino, N,N-diarylamino, N-alkyl-N-arylamino, N-alkylamino, or N-arylamino group on one of the aromatic rings and a latent curing agent or catalyst activate-able by heat, pressure, or radiation TRILLION, INC. 2008-04-17 US disclosed
US-5242884-A Storage stability, antioxidant, secondary amine, basic dye KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1993-09-07 US disclosed
EP-0232907-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-03-27 EP disclosed
EP-0196484-B1 PRESSURE SENSITIVE MANIFOLD SHEET KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1990-05-09 EP disclosed
US-4761396-A BASIC PHTHALIDE DYE REACTS WITH FLUORENE DERIVATIVE AND P-PHENYLENEDIAMINE DERIVATIVE KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-08-02 US disclosed
US-4704379-A Pressure sensitive manifold sheet KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1987-11-03 US disclosed
EP-0196484-A1 Pressure sensitive manifold sheet KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1986-10-08 EP disclosed
US-4580153-A COLOR FORMING BETWEEN COLORLESS CHROMOGENIC VINYL PHTHALIDE COMPOUND AND ELECTRON ACCEPTOR KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1986-04-01 US disclosed