SCHEMBL770159

SCHEMBL770159

CN(C)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
TSHR P16473 3/20 0.65
ALOX15 P16050 2/20 0.65
HSD17B10 Q99714 1/20 0.65
APP P05067 6/20 0.52
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.50
ADK P55263 3/20 0.49
SNCA P37840 6/20 0.47
MAPT P10636 5/20 0.47
ACACB O00763 1/20 0.47

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
SCHEMBL10300053 1.00 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL2555531 0.90 APP (0.57) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL17104804 0.88 APP (0.64) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL710659 0.88 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL8028758 0.87 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL13247229 0.86 RELA (0.63) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL10037361 0.86 RELA (0.63) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL9804473 0.86 CHRM5 (0.62) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL21252658 0.85 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL13614031 0.84 MAPT (0.53) ALDH1A1TSHRALOX15HSD17B10APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8679621-B2 Materials and methods for autonomous restoration of electrical conductivity BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-03-25 US claimed
US-20120067615-A1 Materials and Methods for Autonomous Restoration of Electrical Conductivity THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-03-22 US claimed
US-8846404-B2 System for visual indication of mechanical damage BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-09-30 US disclosed
US-8679621-B2 Materials and methods for autonomous restoration of electrical conductivity BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-03-25 US disclosed
US-20120196373-A1 System For Visual Indication Of Mechanical Damage THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-08-02 US disclosed
US-20120067615-A1 Materials and Methods for Autonomous Restoration of Electrical Conductivity THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-03-22 US disclosed