SCHEMBL3277544

SCHEMBL3277544

N#CC(C(=O)c1ccccc1)=c1ccc(=C(C#N)C(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KMT2A Q03164 5/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 2/20 0.54
CES2 O00748 7/20 0.52
CES1 P23141 6/20 0.52
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
BRCA1 P38398 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL13385940 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL28702565 0.84 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL15473400 0.80 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL15470875 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL11751578 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL12609613 0.76 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL21340425 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL25219103 0.76 CES2 (0.59) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL15470890 0.74 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1MAPK1
Benzil SCHEMBL6031169 0.74 CES2 (0.93) ALDH1A1KMT2AMAPTMEN1MAPK1

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-7700780-B2 Zwitterionic chromophores and macromolecules containing such chromophores Wang, Zhi Yuan (CA) 2010-04-20 US disclosed
US-7700780-B2 Zwitterionic chromophores and macromolecules containing such chromophores Wang, Zhi Yuan (CA) 2010-04-20 US disclosed
US-20060199951-A1 Zwitterionic chromophores and macromolecules containing such chromophores WANG ZHI Y 2006-09-07 US disclosed