SCHEMBL7390372

SCHEMBL7390372

CCOC(=O)c1occ2cc(C#N)cc(OC)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
BRAF P15056 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B2 P37059 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL7390000 0.81 ALDH1A1 (0.40) CYP1A2CYP2C19NPSR1HPGDMAPT
SCHEMBL8713685 0.76 SMN1; SMN2 (0.40) KDM4ENPSR1HSD17B10MAPTGAA
SCHEMBL7390366 0.74 MAPT (0.45) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8718373 0.73 SMN1; SMN2 (0.40) KDM4ENPSR1HSD17B10MAPTGAA
SCHEMBL20944007 0.71 FNTA (0.45) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10955874 0.71 KDM4E (0.42) KDM4ECYP3A4NPSR1L3MBTL1MEN1
SCHEMBL7986113 0.70 PDE5A (0.48) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14661244 0.68 ALDH1A1 (0.45) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7388891 0.66 AR (0.33) CYP1A2CYP3A4CYP2C9CYP2C19SLC22A12
SCHEMBL1511820 0.65 KDM4E (0.51) KDM4EHPGDHSD17B10MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed