SCHEMBL9185538

SCHEMBL9185538

O=C1c2ccccc2C(O)N1CCCO[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HPGD P15428 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 3/20 0.41
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ TOP1 P11387 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9183908 0.95 L3MBTL1 (0.48) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL9184179 0.92 L3MBTL1 (0.52) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL12522822 0.79 L3MBTL1 (0.52) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL9187705 0.78 ALDH1A1 (0.52) HPGDALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL23585046 0.78 L3MBTL1 (0.59) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL27960801 0.76 L3MBTL1 (0.58) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL9188543 0.76 L3MBTL1 (0.58) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL20216016 0.76 L3MBTL1 (0.58) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL12939880 0.76 L3MBTL1 (0.58) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL8619998 0.76 L3MBTL1 (0.49) L3MBTL1HPGDLMNAALDH1A1PKM

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
EP-0576475-B1 ISOINDOLES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO SPA (IT) 1995-09-20 — — EP disclosed
US-5376673-A Vasodilation ITALFARMACO S.P.A. (IT) 1994-12-27 — — US disclosed
EP-0576475-A1 ISOINDOLES HAVING CARDIOVASCULAR ACTIVITY. ITALFARMACO SPA (IT) 1994-01-05 — — EP disclosed
WO-1992016506-A1 ISOINDOLES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1992-10-01 — — WO disclosed
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