SCHEMBL8330775

SCHEMBL8330775

CCOC(=O)C1=C(c2ccc(-n3ccnc3)cc2)NC(C)=C(C(=O)O)C1/C=C/c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.66
TMIGD3 P0DMS9 1/20 0.66
KDM4E B2RXH2 4/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
XBP1 P17861 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
DHFR P00374 1/20 0.44
ALOX12 P18054 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8330776 1.00 ADORA3 (0.66) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL8323854 0.91 ADORA3 (0.62) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL8323850 0.91 ADORA3 (0.62) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL7869547 0.85 ADORA3 (0.55) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL8330644 0.81 ADORA3 (0.66) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL8330641 0.81 ADORA3 (0.66) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL8328372 0.81 ADORA3 (0.68) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL8328375 0.81 ADORA3 (0.68) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL13932305 0.80 ADORA3 (1.00) ADORA3TMIGD3KDM4EMAPTMEN1
SCHEMBL8323179 0.80 ADORA3 (0.59) ADORA3TMIGD3KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943615-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 1999-09-22 EP disclosed