SCHEMBL9166328

SCHEMBL9166328

Cc1ccc2c(c1)OC(C)N(CCO[N+](=O)[O-])C2=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ MAOB P27338 10/20 0.35
▸ ACHE P22303 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL9175683 0.84 RAB9A (0.34) ALDH1A1LMNAAGTR1MAOBNPC1
SCHEMBL9174736 0.80 ALDH1A1 (0.41) ALDH1A1MAOBNPC1TSHR
SCHEMBL8980907 0.79 MAOB (0.39) ALDH1A1MAOBNPC1HPGD
SCHEMBL9174109 0.79 MAOB (0.39) MAOBNPC1TSHR
SCHEMBL9167754 0.78 ALDH1A1 (0.36) ALDH1A1LMNAAGTR1MAOBACHE
SCHEMBL6436979 0.68 ALDH1A1 (0.36) ALDH1A1LMNAAGTR1MAOBACHE
SCHEMBL9170026 0.67 ROCK2 (0.40) ALDH1A1MAOBACHENPC1
SCHEMBL9303669 0.66 CA2 (0.35) ALDH1A1LMNAMAOBNPC1TSHR
SCHEMBL9190169 0.64 LMNA (0.36) ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL8658972 0.64 SMN1; SMN2 (0.39) ALDH1A1LMNANPC1

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
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 — — EP disclosed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 — — US disclosed
EP-0490183-A1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1992-06-17 — — EP disclosed
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