SCHEMBL2174611

SCHEMBL2174611

CC(O)N(c1ccc(/N=N/c2ccncc2)cc1)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 5/20 0.35
MAPT P10636 5/20 0.35
POLB P06746 4/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
CCNT1 O60563 2/20 0.35
CDK1 P06493 2/20 0.35
CDK4 P11802 2/20 0.35
CCNB1 P14635 2/20 0.35
CCND1 P24385 2/20 0.35
CCNE1 P24864 2/20 0.35

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
SCHEMBL2174615 1.00 ALDH1A1 (0.36) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL1150094 0.82 CHRM5 (0.48) ALDH1A1MAOAMAOBNPC1MAPT
SCHEMBL14513895 0.80 TDP1 (0.37) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL14370824 0.75 MAPK1 (0.63) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL2682340 0.75 MAPK1 (0.63) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL1115832 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1TDP1TSHRHSD17B10
Bromide SCHEMBL18074551 0.73 MAPK1 (0.61) ALDH1A1MAPK1TDP1TSHRHSD17B10
Bromide SCHEMBL18074549 0.73 MAPK1 (0.61) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL2172603 0.72 MAOA (0.30) MAOAMAOB
SCHEMBL2172591 0.72 MAOA (0.30) MAOAMAOB

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