SCHEMBL9190169

SCHEMBL9190169

O=C1c2ccc(Cl)cc2C(O)N1CCO[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ MDM2 Q00987 4/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL9188541 0.86 KDM4E (0.37) LMNAHPGDKDM4EPOLBALOX15
SCHEMBL9184179 0.82 L3MBTL1 (0.52) LMNAHPGDKDM4EPOLBALOX15
SCHEMBL9188549 0.78 HPGD (0.42) LMNAHPGDKDM4EPOLBALOX15
SCHEMBL9185538 0.75 L3MBTL1 (0.50) LMNAHPGDL3MBTL1ALDH1A1RAB9A
SCHEMBL10911693 0.74 ACHE (0.42) LMNAKDM4EPOLBALDH1A1RAB9A
SCHEMBL9183908 0.73 L3MBTL1 (0.48) LMNAHPGDL3MBTL1ALDH1A1PTGS2
SCHEMBL4466267 0.71 LMNA (0.41) LMNAHPGDKDM4EPOLBALOX15
SCHEMBL9266701 0.71 CYP11B1 (0.33) LMNAHPGDALDH1A1RAB9AHSD17B10
SCHEMBL9166368 0.70 ACHE (0.32) LMNAPOLBL3MBTL1ALDH1A1PTGS2
SCHEMBL10909875 0.69 POLB (0.44) LMNAKDM4EPOLBALDH1A1RAB9A

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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