SCHEMBL2172596

SCHEMBL2172596

CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(N=Nc2ccncc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSMD14 O00487 1/20 0.30
MITF O75030 1/20 0.30
DUT P33316 2/20 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
Iodide SCHEMBL2217904 0.78
SCHEMBL4465723 0.77 ALDH1A1 (0.43) TDP1PSMD14DUT
SCHEMBL7717528 0.77 DUT (0.37) KDM4EDUT
SCHEMBL4652904 0.77 BACE1 (0.36) KDM4ELMNADUT
SCHEMBL13302934 0.77 DUT (0.34) DUT
SCHEMBL3342299 0.76 MEN1 (0.39) KMT2AMEN1SMN1; SMN2DUT
SCHEMBL6933156 0.76 DUT (0.33) DUT
SCHEMBL1234774 0.73 ALDH1A1 (0.49) NPC1MAPTRAB9AKMT2AKDM4E
SCHEMBL98656 0.73 ALDH1A1 (0.34) NPC1MAPTRAB9AKDM4EDUT
SCHEMBL13302932 0.73 DUT (0.32) DUT

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 7 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-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