SCHEMBL8636623

SCHEMBL8636623

CC(=O)Nc1ccc2c(c1)C(=O)N(CCO[N+](=O)[O-])CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 5/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
MAOA P21397 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35

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
SCHEMBL8638609 0.92 CYP1A2 (0.40) CYP1A2CYP2C19NPSR1MAPTHTT
SCHEMBL8640361 0.88 PLCG1 (0.40) CYP2C19MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL9004609 0.87 ALDH1A1 (0.33) CASP6CYP1A2CYP2C19NPSR1MAPT
SCHEMBL8635712 0.87 MAPT (0.32) CASP6NPSR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8639582 0.82 CYP1A2 (0.47) CASP6CYP1A2CYP2C19NPSR1MAPT
SCHEMBL8637170 0.82 MAPT (0.35) MAPTALDH1A1KMT2ARAB9A
SCHEMBL6436979 0.82 ALDH1A1 (0.36) CYP1A2MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9173014 0.82 MAOB (0.35) MAPTKMT2AMEN1
SCHEMBL8639917 0.82 CYP1A2 (0.46) CASP6CYP1A2CYP2C19NPSR1MAPT
SCHEMBL8635721 0.81 HPGD (0.39) SMN1; SMN2ALDH1A1HPGDPOLBKMT2A

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