SCHEMBL7876063

SCHEMBL7876063

CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)OCC#Cc2cccnc2)C1/C=C/c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.52
TMIGD3 P0DMS9 2/20 0.52
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 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
SCHEMBL7869556 0.92 ADORA3 (0.43) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL7873253 0.91 MAPT (0.48) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL8136874 0.91 ADORA3 (0.40) ADORA3TMIGD3ALDH1A1HPGD
SCHEMBL7872512 0.90 ADORA3 (0.38) ADORA3TMIGD3GAA
SCHEMBL7873370 0.89 ADORA3 (0.37) ADORA3TMIGD3
SCHEMBL7871436 0.88 TSHR (0.38) ADORA3TMIGD3
SCHEMBL8321504 0.88 ADORA3 (0.59) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL8323179 0.88 ADORA3 (0.59) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL7864190 0.87 ADORA3 (0.43) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL7864225 0.86 ADORA3 (0.41) ADORA3TMIGD3MAPK1

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-6306853-B1 DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS NIKKEN CHEMICALS CO., LTD. (JP) 2001-10-23 US disclosed
EP-1055672-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 2000-11-29 EP disclosed