SCHEMBL8656394

SCHEMBL8656394

N#Cc1ccc(OCCO)c(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.47
IRAK4 Q9NWZ3 1/20 0.43
PARP1 P09874 2/20 0.41
MMP2 P08253 2/20 0.41
CASP1 P29466 1/20 0.41
MAP2K1 Q02750 1/20 0.41
PARP2 Q9UGN5 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL9850808 0.87 MAPT (0.47) PTGDR2IRAK4CASP1MAP2K1HTT
SCHEMBL29577607 0.79 PTGDR2 (0.48) PTGDR2MMP2KDM4EMAPTKMT2A
SCHEMBL15145964 0.78 PTGDR2 (0.44) PTGDR2MMP2CASP1HTTKDM4E
SCHEMBL10603931 0.78 KDM4E (0.42) PARP1HTTKDM4EMEN1NR1I2
SCHEMBL13126996 0.77 TUBB1 (0.51) PTGDR2MEN1MAPTHTR2BKMT2A
SCHEMBL27540093 0.77 KMT2A (0.45) PTGDR2HTTKDM4EMEN1NR1I2
SCHEMBL12505492 0.77 NPC1 (0.47) PTGDR2IRAK4HTTKDM4EMEN1
SCHEMBL1619495 0.75 PTGDR2 (0.44) PTGDR2MMP2CYP19A1CYP11B1CYP11B2
SCHEMBL8981628 0.75 KDM4E (0.47) HTTKDM4EMEN1NR1I2LMNA
SCHEMBL2312770 0.74 IKBKB (0.49) PARP1CASP1PARP2PARP15PARP10

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-0566018-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1998-08-05 EP disclosed
US-5480882-A Benzoxazinone and benzothiazinone derivatives having cardiovascular activity ITALFARMACO S.P.A. (IT) 1996-01-02 US disclosed
EP-0566018-A2 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1993-10-20 EP disclosed