SCHEMBL4903301

SCHEMBL4903301

N#CC(C#N)=C(C#N)c1ccc(C=CC=Cc2ccc(N3CCCCC3)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
PSMD14 O00487 1/20 0.33
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4903297 1.00 ALDH1A1 (0.33) ALDH1A1MAPTKMT2APSMD14ABCB1
SCHEMBL14305632 0.76 ALDH1A1 (0.36) ALDH1A1MAPTKMT2APSMD14MEN1
SCHEMBL14174575 0.75 KMT2A (0.38) ALDH1A1MAPTKMT2APSMD14ABCB1
SCHEMBL9915649 0.72 ALDH1A1 (0.50) ALDH1A1MAPTKMT2APSMD14MEN1
SCHEMBL14174573 0.72 KMT2A (0.47) ALDH1A1MAPTKMT2APSMD14ABCB1
SCHEMBL14281312 0.71 ALDH1A1 (0.32) ALDH1A1MAPTKMT2APSMD14ABCB1
SCHEMBL29574929 0.70 ALDH1A1 (0.46) ALDH1A1MAPTKMT2APSMD14MEN1
SCHEMBL8722327 0.70 MAPKAPK2 (0.41) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL19439600 0.67 EGFR (0.42) MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL24716526 0.65 ALDH1A1 (0.42) ALDH1A1MAPTKMT2APSMD14MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080002329-A1 High Dielectric, Non-Linear Capacitor POHM ARTHUR V 2008-01-03 US disclosed
US-20070206342-A1 High Dielectric, Non-Linear Nano-Capacitor NANO-ELECTROCHEM, INC. 2007-09-06 US disclosed
US-20060291278-A1 Nano-Reflectors for Thin, Flat Display Devices NANO-ELECTROCHEM, INC. (US) 2006-12-28 US disclosed