SCHEMBL10912534

SCHEMBL10912534

CC(=O)Nc1ccc2c(c1)C(=O)N(CCO[N+](=O)[O-])C2=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ POLB P06746 1/20 0.49
▸ ACHE P22303 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ PKM P14618 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.44

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
SCHEMBL10912020 0.93 ALDH1A1 (0.48) HPGDHSD17B10ALDH1A1POLBACHE
SCHEMBL10913473 0.79 PDK2 (0.44) HPGDHSD17B10ALDH1A1POLBMAPK1
SCHEMBL10911693 0.78 ACHE (0.42) ALDH1A1POLBACHEKDM4EKMT2A
SCHEMBL10913843 0.78 ESR1 (0.48) ALDH1A1POLBKDM4EPKMKMT2A
SCHEMBL8638609 0.77 CYP1A2 (0.40) HPGDHSD17B10ALDH1A1POLBACHE
SCHEMBL8636623 0.77 CASP6 (0.41) HPGDHSD17B10ALDH1A1POLBKDM4E
SCHEMBL22080751 0.77 ALDH1A1 (0.60) HPGDHSD17B10ALDH1A1POLBACHE
SCHEMBL10913894 0.77 AHR (0.47) HPGDHSD17B10ALDH1A1POLBKDM4E
SCHEMBL10913972 0.76 ALOX5 (0.56) POLBACHEKDM4EPKM
SCHEMBL3774059 0.74 ALDH1A1 (0.52) HPGDALDH1A1MAPK1KMT2AMAPT

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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