SCHEMBL6948196

SCHEMBL6948196

N=C(N)c1ccc2ccccc2c1[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.42
LDHA P00338 1/20 0.41
F2 P00734 3/20 0.39
PLG P00747 3/20 0.39
PLAU P00749 3/20 0.39
KLK1 P06870 2/20 0.39
PRSS1 P07477 2/20 0.39
KLKB1 P03952 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL6539256 0.80 WDR5 (0.61) WDR5LDHAALDH1A1HSD17B10KDM4E
SCHEMBL3246521 0.79 ALDH1A1 (0.46) WDR5LDHAALDH1A1HSD17B10CYP2A6
SCHEMBL63859 0.76 CDC25B (0.57) WDR5TDP1MAPTMEN1KMT2A
SCHEMBL3282521 0.76 WDR5 (0.47) WDR5LDHAALDH1A1KDM4EGAA
SCHEMBL6539923 0.75 MAPT (0.49) WDR5ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL4938311 0.73 CYP1A1 (0.46) WDR5LDHAALDH1A1HSD17B10TSHR
SCHEMBL3246612 0.73 ALDH1A1 (0.46) WDR5PLAUALDH1A1HSD17B10CYP2A6
SCHEMBL3244528 0.73 PTPN22 (0.54) LDHAALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1110593 0.73 LDHA (0.60) LDHAPLGKLK1ALDH1A1HSD17B10
SCHEMBL29435310 0.73 ALDH1A1 (0.44) WDR5LDHAF2PLGPLAU

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