SCHEMBL8154684

SCHEMBL8154684

N#Cc1ccc(C=CC(N)=O)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NFE2L2 Q16236 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CYP1A2 P05177 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
SNCA P37840 1/20 0.38
HDAC2 Q92769 1/20 0.37

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
SCHEMBL8154678 1.00 PELI1 (0.44) PELI1ALDH1A1KDM4EHPGDALOX15
SCHEMBL28055116 0.87 PELI1 (0.49) PELI1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL8153860 0.84 KDM4E (0.56) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8153863 0.84 KDM4E (0.56) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL3890018 0.82 P4HB (0.44) PELI1SLC22A12CYP1A2
SCHEMBL6029975 0.82 P4HB (0.44) PELI1SLC22A12CYP1A2
SCHEMBL8149933 0.77 MAPT (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1CA2
SCHEMBL7569115 0.77 MAPT (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1CA2
SCHEMBL28646998 0.75 TTR (0.61) ALDH1A1KDM4ECA2CA1
SCHEMBL8148520 0.75 P4HB (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 US disclosed