SCHEMBL9528781

SCHEMBL9528781

COc1ccc(CCON=C(c2cccnc2)c2cccnc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
TBXAS1 P24557 3/20 0.47
MMP2 P08253 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CYP51A1 Q16850 1/20 0.44
ANPEP P15144 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL9527829 0.97 MAPK1 (0.55) MAPK1TBXAS1MMP2CYP1A2CYP3A4
SCHEMBL9527952 0.89 ALDH1A1 (0.49) MAPK1TBXAS1MAPTKDM4EALDH1A1
SCHEMBL9527966 0.82 ALDH1A1 (0.54) MAPK1CYP3A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL9532138 0.81 TBXAS1 (0.55) MAPK1TBXAS1MAPTKDM4EALDH1A1
SCHEMBL9532347 0.81 ABCB1 (0.53) TBXAS1MAPTALDH1A1SMN1; SMN2TBXA2R
SCHEMBL9532300 0.79 TBXAS1 (0.57) TBXAS1KDM4EALDH1A1SMN1; SMN2TBXA2R
SCHEMBL9532489 0.79 CYP11B1 (0.52) MAPK1TBXAS1CYP1A2CYP3A4KDM4E
SCHEMBL9529775 0.79 TBXAS1 (0.50) MAPK1TBXAS1MAPTRXFP1ALDH1A1
SCHEMBL9528147 0.79 TBXAS1 (0.55) TBXAS1CYP1A2CYP3A4CYP2D6CYP1A1
SCHEMBL9532150 0.79 TBXAS1 (0.55) TBXAS1CYP1A2CYP3A4CYP2D6CYP1A1

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
EP-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed