SCHEMBL9360720

SCHEMBL9360720

CCCCCc1[nH]c(=O)oc1-c1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
GRM4 Q14833 1/20 0.37
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
AAK1 Q2M2I8 3/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
EIF4A1 P60842 1/20 0.35
GAK O14976 1/20 0.34
SCN9A Q15858 3/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
NOTUM Q6P988 1/20 0.33
SCN5A Q14524 1/20 0.33
PLK4 O00444 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
SCHEMBL9365338 0.78 PARP1 (0.43) PARP1AURKBALDH1A1
SCHEMBL7415425 0.73 ELANE (0.44) PARP1DYRK1AAURKBALDH1A1
SCHEMBL1461737 0.68 GAK (0.46) PARP1PTGDR2GRM4ADRB2NCF1
SCHEMBL7413882 0.68 ACVR1 (0.47) AURKBALDH1A1
SCHEMBL8367913 0.68 PARP1 (0.50) PARP1PTGDR2GRM4ADRB2NCF1
SCHEMBL12968479 0.67 GAK (0.47) PARP1PTGDR2GRM4ADRB2NCF1
SCHEMBL4591807 0.66 RAC1 (0.52) PARP1PTGDR2GRM4ADRB2NCF1
SCHEMBL20683281 0.66 RAC1 (0.54) PARP1PTGDR2GRM4ADRB2NCF1
SCHEMBL2078272 0.65 ELANE (0.50) PARP1F7F3EIF4A1
SCHEMBL14325726 0.65 NOS3 (0.44) ADRB2ALDH1A1

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
EP-0365863-B1 Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors MERRELL DOW PHARMA (US) 1994-08-17 EP disclosed
EP-0428105-B1 Use of quinolyl- and isoquinolyloxazole-2-ones for the production of a medicament for the prevention of glycoprotein enveloped virus infectivity MERRELL DOW PHARMA (US) 1994-01-19 EP disclosed
EP-0428107-B1 Use of quinolyl-and isoquinolyloxanole-2-ones for the production of a medicament for the treatment of multi-drug resistant tumors MERRELL DOW PHARMA (US) 1994-01-19 EP disclosed
US-4999431-A Reacting A Bromoquinoline Compound With Butyllithium And An N-Methyl-N-Methoxyalkanamide; Intermediates for Quinolyloxazole-2-ones MERRELL DOW PHARMACEUTICALS (US) 1991-03-12 US disclosed
US-4990519-A Antiasthma, hypotensive agents, bronchodilator agents MERRELL DOW PHARMACEUTICALS (US) 1991-02-05 US disclosed
US-4886811-A HYPOTENSIVE AGENTS AND VASODILATORS MERRELL DOW PHARMACEUTICALS (US) 1989-12-12 US disclosed