SCHEMBL8637170

SCHEMBL8637170

O=C1c2cc(O)ccc2OCN1CCO[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KMT2A Q03164 1/20 0.32

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
SCHEMBL8638777 0.91 MAOA (0.38) ESR1ESR2KMT2A
SCHEMBL9173014 0.86 MAOB (0.35) MAPTKMT2A
SCHEMBL6436979 0.86 ALDH1A1 (0.36) MAPTALDH1A1RAB9AKMT2A
SCHEMBL8635639 0.86 CASP1 (0.39) ALDH1A1RAB9AKMT2A
SCHEMBL8635721 0.85 HPGD (0.39) ALDH1A1KMT2A
SCHEMBL8639858 0.83 ALDH1A1 (0.37) MAPTALDH1A1
SCHEMBL8653036 0.83 CASP3 (0.34) MAPT
Sinitrodil SCHEMBL503115 0.83 TSHR (0.34) MAPTALDH1A1RAB9A
Sinitrodil SCHEMBL31066546 0.83 TSHR (0.34) MAPTALDH1A1RAB9A
SCHEMBL8638798 0.82 KCNH2 (0.35) ALDH1A1RAB9A

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