SCHEMBL2174265

SCHEMBL2174265

Nc1ccc2nc(-c3ccncc3)sc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.78
KDM4E B2RXH2 7/20 0.78
GAA P10253 6/20 0.78
NPC1 O15118 6/20 0.78
RAB9A P51151 6/20 0.78
GLA P06280 4/20 0.78
ALDH1A1 P00352 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
HPGD P15428 3/20 0.73
PKM P14618 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
APP P05067 12/20 0.69
TP53 P04637 2/20 0.69
THRB P10828 1/20 0.69
POLB P06746 3/20 0.67
PTBP1 P26599 1/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67
HSD17B10 Q99714 1/20 0.67

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
SCHEMBL6854930 0.90 MAPT (0.96) MAPTKDM4EGAANPC1RAB9A
SCHEMBL1995933 0.88 MAPT (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL3194266 0.85 MAPT (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL25026544 0.82 KDM4E (0.67) MAPTKDM4EGAANPC1RAB9A
SCHEMBL3193978 0.82 MAPT (0.81) MAPTKDM4EGAANPC1RAB9A
SCHEMBL5906538 0.82 MAPT (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL13806256 0.82 APP (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL31219254 0.82 APP (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL17198993 0.81 MAPT (0.74) MAPTKDM4EGAANPC1RAB9A
SCHEMBL11778594 0.81 MAPT (0.70) MAPTKDM4EGAANPC1RAB9A

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-7976954-B1 Layer by layer self-assembly of large response molecular electro-optic materials by a desilylation strategy NORTHWESTERN UNIVERSITY (US) 2011-07-12 US disclosed
US-7972542-B1 Layer by layer self-assembly of large response molecular electro-optic materials by a desilylation strategy NORTHWESTERN UNIVERSITY (US) 2011-07-05 US disclosed
US-7972542-B1 Layer by layer self-assembly of large response molecular electro-optic materials by a desilylation strategy NORTHWESTERN UNIVERSITY (US) 2011-07-05 US disclosed
US-7776235-B1 Layer by layer self-assembly of large response molecular electro-optic materials by a desilylation strategy NORTHWESTERN UNIVERSITY (US) 2010-08-17 US disclosed
US-7776235-B1 Layer by layer self-assembly of large response molecular electro-optic materials by a desilylation strategy NORTHWESTERN UNIVERSITY (US) 2010-08-17 US disclosed
US-7651777-B1 composite containing first and second siloxane capping layers of octachlorotrisiloxane; a metal selected from Hf, Ga, In; sorption product of a metal oxide (selected fro Hf2O3, Ga2O3, In2O2) directly on said first capping layer; second capping layer covering oxide layer, azo chromophore layer inbetween NORTHWESTERN UNIVERSITY (US) 2010-01-26 US disclosed
US-7476345-B2 Layer by layer self-assembly of large response molecular electro-optic materials by a desilylation strategy NORTHWESTERN UNIVERSITY (US) 2009-01-13 US disclosed
US-20060088717-A1 Layer by layer self-assembly of large response molecular electro-optic materials by a desilylation strategy NATIONAL SCIENCE FOUNDATION 2006-04-27 US disclosed
US-6855274-B1 Layer by layer self-assembly of large response molecular electro-optic materials by a desilylation strategy NORTHWESTERN UNIVERSITY (US) 2005-02-15 US disclosed