SCHEMBL8169486

SCHEMBL8169486

N=C(N)c1cc[c]c(Nc2ccc(F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.39
F2 P00734 6/20 0.39
PRSS2 P07478 5/20 0.39
PRSS3 P35030 5/20 0.39
ST14 Q9Y5Y6 5/20 0.39
PLG P00747 1/20 0.39
PRMT5 O14744 1/20 0.35
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
PRMT7 Q9NVM4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TMPRSS6 Q8IU80 3/20 0.35
PLAU P00749 1/20 0.35
F10 P00742 1/20 0.34
GAK O14976 1/20 0.33

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
SCHEMBL8174776 0.84 PLAU (0.44) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8721615 0.81 ALDH1A1 (0.38) PRSS1F2PRSS2PRSS3ST14
SCHEMBL8723668 0.77 MAPK10 (0.38) ALDH1A1
SCHEMBL8721665 0.76 GAA (0.38) ALDH1A1
SCHEMBL8174039 0.73 NQO2 (0.43) PRSS1PRSS2PRSS3PRMT1ALDH1A1
SCHEMBL1949948 0.71 PRSS1 (0.41) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8721632 0.70 F2 (0.44) PRSS1F2PRSS2PRSS3ST14
SCHEMBL8170185 0.70 PLAU (0.38) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8170639 0.70 PLAU (0.38) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8176115 0.70 PLAU (0.48) PRSS1F2PLGALDH1A1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
US-5763596-A PYROLO PYRIMIDINE AND PYRAZOLO PYRIMIDINE COMPOUMDS; TREATMENT OF CARDIOVASCULAR AND BRAIN DISORDERS, ANTIINFLAMMATORY AGENTS METABASIS THERAPEUTICS, INC. (US) 1998-06-09 US disclosed
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
US-5674998-A FOR TREATING CARDIOVASCULAR OR BRAIN DISORDERS, OR AS ANTIINFLAMMATORY AGENT GENSIA INC. (US) 1997-10-07 US disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed