SCHEMBL6956573

SCHEMBL6956573

N=C(N)c1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 2/20 0.52
▸ LDHA P00338 1/20 0.42
▸ PRSS1 P07477 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ F2 P00734 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ KLKB1 P03952 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39

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
SCHEMBL18821319 0.84 HPRT1 (0.41) WDR5PRSS1F2PLAUKLKB1
SCHEMBL27927917 0.84 WDR5 (0.59) WDR5LDHATDP1KDM4EMAPT
SCHEMBL18821313 0.83 HPRT1 (0.43) WDR5LDHAPRSS1TDP1F2
SCHEMBL9856947 0.79 WDR5 (0.63) WDR5LDHATDP1KDM4EMAPT
SCHEMBL2240626 0.79 WDR5 (0.81) WDR5LDHATDP1KDM4EMAPT
SCHEMBL17070768 0.76 WDR5 (0.59) WDR5LDHATDP1MAPTKMT2A
SCHEMBL18821318 0.76 MEN1 (0.35) WDR5PRSS1F2KDM4EMAPT
SCHEMBL11486740 0.76 WDR5 (0.44) WDR5PRSS1F2PLAUKLKB1
SCHEMBL30595049 0.75 WDR5 (0.49) WDR5LDHATDP1MAPTALDH1A1
SCHEMBL29435310 0.75 ALDH1A1 (0.44) WDR5LDHAPRSS1TDP1F2

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 5 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-6333320-B1 USEFUL AS DRUGS, ESPECIALLY AS AN ACTIVATED BLOOD COAGULATION FACTOR X INHIBITOR Yamanouchi Pharmaceutical Co. (JP) 2001-12-25 — — US disclosed
EP-1000936-A1 NOVEL HEXAHYDRO-1,4-DIAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-05-17 — — 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
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