SCHEMBL10912078

SCHEMBL10912078

O=C1c2cccc(O)c2C(=O)N1CCO[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA4 P22748 1/20 0.44
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ ATM Q13315 3/20 0.42
▸ ANPEP P15144 2/20 0.42
▸ DPP4 P27487 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39

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
SCHEMBL10912457 0.92 RAB9A (0.43) CA1CA2CA9CA4RAB9A
SCHEMBL10913396 0.85 CA1 (0.57) CA1CA2CA9CA4RAB9A
SCHEMBL3774059 0.84 ALDH1A1 (0.52) RAB9ANPC1KMT2AALDH1A1LMNA
SCHEMBL10913894 0.80 AHR (0.47) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL10909793 0.79 KMT2A (0.42) RAB9ANPC1ATMMEN1KMT2A
Dimethylamine SCHEMBL10914075 0.78 RAB9A (0.43) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL10909622 0.77 CA1 (0.55) CA1CA2CA9CA4ATM
SCHEMBL10909813 0.77 HEXA (0.60) RAB9ANPC1ATMANPEPDPP4
SCHEMBL10914068 0.77 PABPC1 (0.45) RAB9ANPC1ATMMEN1KMT2A
Dimethylamine SCHEMBL10912082 0.77 RAB9A (0.45) RAB9ANPC1ATMMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171977-A1 Phthalimide derivatives, compositions containing them and a process for preparing them SANKYO COMPANY LIMITED (JP) 1986-02-19 — — EP disclosed
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