SCHEMBL10912457

SCHEMBL10912457

O=C1c2cccc(O)c2C(=O)N1CCCO[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA4 P22748 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ ATM Q13315 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PABPC1 P11940 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
SCHEMBL10912078 0.92 CA1 (0.44) RAB9ASMN1; SMN2CA1CA2CA9
SCHEMBL10909622 0.86 CA1 (0.55) SMN1; SMN2CA1CA2CA9CA4
SCHEMBL10913065 0.84 MAPT (0.59) RAB9ASMN1; SMN2MAPTHDAC7ALDH1A1
SCHEMBL10909799 0.81 POLB (0.46) SMN1; SMN2MAPTPOLBALDH1A1MEN1
SCHEMBL10913832 0.80 KMT2A (0.41) RAB9ASMN1; SMN2MAPTPOLBHDAC7
Dimethylamine SCHEMBL10909871 0.79 PDE10A (0.41) RAB9ASMN1; SMN2MAPTPOLBPDE10A
SCHEMBL7991341 0.79 ALDH1A1 (0.51) RAB9ASMN1; SMN2MAPTPOLBANPEP
SCHEMBL10912179 0.78 KMT2A (0.45) RAB9ASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL10909868 0.78 ALDH1A1 (0.46) RAB9ASMN1; SMN2MAPTPOLBALDH1A1
Dimethylamine SCHEMBL10913743 0.78 RAB9A (0.41) RAB9ASMN1; SMN2MAPTPOLBALDH1A1

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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