SCHEMBL8713575

SCHEMBL8713575

CCOC(=O)c1oc2ccc(C#N)cc2c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
AHR P35869 1/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 4/20 0.45
USP2 O75604 3/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HIF1A Q16665 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL7386021 0.87 HIF1A (0.54) KDM4EAHRUSP2TSHRHIF1A
SCHEMBL8714016 0.85 KDM4E (0.47) KDM4EAHRHPGDUSP2TSHR
SCHEMBL8713025 0.83 KDM4E (0.42) KDM4EHPGDHSD17B10CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6980117 0.80 KDM4E (0.53) KDM4EAHRHPGDHSD17B10USP2
SCHEMBL7450620 0.80 KDM4E (0.50) KDM4EAHRHPGDHSD17B10USP2
SCHEMBL719418 0.79 KCNH2 (0.52) KDM4EHPGDHSD17B10TSHRCYP1A2
SCHEMBL8713577 0.79 PDE5A (0.41) KDM4EAHRHPGDHSD17B10USP2
SCHEMBL8482263 0.78 KDM4E (0.68) KDM4EAHRHPGDHSD17B10USP2
SCHEMBL31475455 0.78 KDM4E (0.68) KDM4EAHRHPGDHSD17B10USP2
SCHEMBL6983229 0.77 HIF1A (0.55) KDM4EAHRHIF1AMAPTL3MBTL1

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-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed