SCHEMBL9004558

SCHEMBL9004558

CC(C)C(=O)Oc1ccc2c(c1)OCN(CCO[N+](=O)[O-])C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
PRMT5 O14744 7/20 0.32
WDR77 Q9BQA1 7/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 2/20 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
SCHEMBL8658972 0.91 SMN1; SMN2 (0.39) LMNAKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL8643511 0.89 LMNA (0.35) LMNAKDM4EACHEMAOBALDH1A1
SCHEMBL8637479 0.85 ACHE (0.38) ACHE
SCHEMBL9170026 0.84 ROCK2 (0.40) KDM4EACHEMAOBALDH1A1SMN1; SMN2
SCHEMBL9004593 0.83 LMNA (0.46) LMNAKDM4EALDH1A1GLAHPGD
SCHEMBL8639190 0.81 LMNA (0.35) LMNAKDM4EALDH1A1GLAHPGD
SCHEMBL8638777 0.80 MAOA (0.38) MAOBMEN1KMT2A
SCHEMBL9167754 0.80 ALDH1A1 (0.36) LMNAKDM4EACHEMAOBALDH1A1
SCHEMBL8638609 0.78 CYP1A2 (0.40) KDM4EACHEALDH1A1HPGDHTT
SCHEMBL9166368 0.78 ACHE (0.32) LMNAACHEMAOBALDH1A1POLB

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 2 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
US-5480882-A Benzoxazinone and benzothiazinone derivatives having cardiovascular activity ITALFARMACO S.P.A. (IT) 1996-01-02 US disclosed