SCHEMBL8638962

SCHEMBL8638962

CCNC(=O)Nc1ccc2c(c1)OCN(CCO[N+](=O)[O-])C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
PLCG1 P19174 1/20 0.36
PLCB3 Q01970 1/20 0.36
BRD4 O60885 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
PAX8 Q06710 2/20 0.34
SHMT2 P34897 1/20 0.34

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
SCHEMBL8640361 0.93 PLCG1 (0.40) SMN1; SMN2PLCG1PLCB3BRD4TSHR
SCHEMBL8638609 0.88 CYP1A2 (0.40) SMN1; SMN2MAPTMAPK1HTTCYP2C19
SCHEMBL8637410 0.83 ITGB3 (0.32) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8637479 0.83 ACHE (0.38) OPRM1OPRD1
SCHEMBL8636623 0.81 CASP6 (0.41) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8640371 0.80
SCHEMBL9167754 0.78 ALDH1A1 (0.36) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL8638777 0.78 MAOA (0.38) MEN1KMT2A
SCHEMBL8638136 0.77 ACHE (0.38) SMN1; SMN2ALDH1A1OPRM1OPRD1
SCHEMBL8658972 0.77 SMN1; SMN2 (0.39) SMN1; SMN2NPC1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480882-A Benzoxazinone and benzothiazinone derivatives having cardiovascular activity ITALFARMACO S.P.A. (IT) 1996-01-02 US claimed
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