SCHEMBL8637410

SCHEMBL8637410

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 0.32
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCL1 Q07820 1/20 0.31
NPC1 O15118 4/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 2/20 0.31
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8635712 0.92 MAPT (0.32) ITGB3ITGA2BALDH1A1RAB9ASMN1; SMN2
SCHEMBL8638609 0.87 CYP1A2 (0.40) ALDH1A1SMN1; SMN2NPSR1MAPTHSD17B10
SCHEMBL8640371 0.85
SCHEMBL8638962 0.83 SMN1; SMN2 (0.36) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8638777 0.81 MAOA (0.38) KMT2AMEN1
SCHEMBL9004609 0.80 ALDH1A1 (0.33) ALDH1A1RAB9ASMN1; SMN2NPSR1NPC1
SCHEMBL8636623 0.79 CASP6 (0.41) ALDH1A1RAB9ASMN1; SMN2NPSR1NPC1
SCHEMBL9166368 0.79 ACHE (0.32) ALDH1A1LMNAMAPK1
SCHEMBL8641204 0.79 ACHE (0.38) ALDH1A1KMT2AMEN1
SCHEMBL9167754 0.79 ALDH1A1 (0.36) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA

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
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