SCHEMBL6948199

SCHEMBL6948199

N=C(N)C(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
MMP3 P08254 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PTPN1 P18031 1/20 0.52
CDC25B P30305 1/20 0.52
PLK1 P53350 1/20 0.52
KDM4E B2RXH2 6/20 0.48
GAA P10253 3/20 0.48
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46

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
SCHEMBL31151000 0.86 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL1600829 0.86 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29494693 0.85 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL7218991 0.85 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6050386 0.82 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL43084 0.81 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9614463 0.81 NR4A1 (0.65) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29381201 0.81 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL1600502 0.79 NR4A1 (0.69) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL15658452 0.79 NR4A1 (0.63) NR4A1NR4A2NR4A3MMP3HDAC8

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
EP-0798295-B1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-02-26 EP disclosed
US-5869501-A PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS OR EMBOLUS. YAMANOUCHI PHARMACEUTICAL CO. LTD (JP) 1999-02-09 US disclosed
EP-0798295-A1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-01 EP disclosed