SCHEMBL9266701

SCHEMBL9266701

CC(O[N+](=O)[O-])N1C(=O)c2ccc(Cl)cc2C1O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MDM2 Q00987 3/20 0.31
▸ SDCBP O00560 1/20 0.31
▸ SDC2 P34741 1/20 0.31
▸ TP53 P04637 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
SCHEMBL9190169 0.71 LMNA (0.36) CYP11B1CYP11B2ALDH1A1RAB9AHSD17B10
SCHEMBL4466267 0.69 LMNA (0.41) CYP11B1CYP11B2ALDH1A1RAB9AHSD17B10
SCHEMBL2954267 0.67 ALDH1A1 (0.41) CYP11B1CYP11B2ALDH1A1RAB9AHSD17B10
SCHEMBL13237699 0.67 ALDH1A1 (0.41) CYP11B1CYP11B2ALDH1A1RAB9AHSD17B10
SCHEMBL7439509 0.66 RAB9A (0.67) CYP11B1CYP11B2ALDH1A1RAB9AHSD17B10
SCHEMBL3839962 0.62 ALDH1A1 (0.42) CYP11B1CYP11B2ALDH1A1RAB9AHSD17B10
SCHEMBL9188549 0.62 HPGD (0.42) CYP11B1CYP11B2ALDH1A1RAB9AHSD17B10
SCHEMBL4471060 0.59 MEN1 (0.51) ALDH1A1RAB9AHSD17B10MEN1KMT2A
SCHEMBL16269466 0.59 CYP11B1 (0.52) CYP11B1CYP11B2
SCHEMBL4477266 0.58 KDM4E (0.45) ALDH1A1RAB9AHSD17B10MAPTKMT2A

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
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
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