SCHEMBL770158

SCHEMBL770158

CN(C)c1ccccc1C#Cc1ccccc1N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CHEK1 O14757 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HTR6 P50406 2/20 0.38
NSD2 O96028 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EP300 Q09472 1/20 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
SCHEMBL27794102 0.89 ALDH1A1 (0.50) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL14565683 0.88 MAPT (0.39) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL29894560 0.87 MAPT (0.35) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL14142621 0.84 ALDH1A1 (0.43) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL21356995 0.84 GRM5 (0.46) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL21319248 0.82 ALDH1A1 (0.35) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL30018540 0.82 MAPT (0.35) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL97296 0.80 ALDH1A1 (0.45) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL3763790 0.80 MAPT (0.40) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL1330188 0.80 ALDH1A1 (0.40) MAPTALDH1A1GAATSHRSMN1; SMN2

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