SCHEMBL2114609

SCHEMBL2114609

O=C=Nc1ccc(N=C=O)c(-c2cc(-c3c(N=C=O)ccc(N=C=O)c3N=C=O)cc(-c3c(N=C=O)ccc(N=C=O)c3N=C=O)c2)c1N=C=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TRPA1 O75762 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPK1 P28482 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
SCHEMBL5577120 0.79 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL29834249 0.75 CYP3A4 (0.38) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL28809558 0.73 CYP3A4 (0.36) CYP3A4TDP1ALDH1A1HPGDGABRA1
SCHEMBL16965888 0.71 CYP3A4 (0.35) CYP3A4TDP1ALDH1A1HPGDGABRA1
SCHEMBL428210 0.71 CYP3A4 (0.38) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL109280 0.70 CYP3A4 (0.62) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL583815 0.70 CYP3A4 (0.42) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL28285892 0.70 CYP3A4 (0.34) CYP3A4TDP1ALDH1A1HPGDGABRA1
SCHEMBL3680230 0.70 CYP3A4 (0.61) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL2522957 0.69 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1HPGDTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8159635-B2 Liquid crystal display device FUJIFILM CORPORATION (JP) 2012-04-17 US disclosed
US-20100328584-A1 LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-12-30 US disclosed