SCHEMBL10913894

SCHEMBL10913894

CC(=O)Nc1cccc2c1C(=O)N(CCO[N+](=O)[O-])C2=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ HPGD P15428 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ RPS6KA2 Q15349 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL10909799 0.93 POLB (0.46) AHRHPGDMAPTL3MBTL1POLB
SCHEMBL10912078 0.80 CA1 (0.44) HPGDL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7794720 0.79 AHR (0.51) AHRHPGDMAPTPOLBMAOA
SCHEMBL24182074 0.78 AHR (0.50) AHRHPGDMAPTPOLBMAOA
SCHEMBL21335854 0.77 AHR (0.52) AHRHPGDMAPTPOLBMAOA
SCHEMBL10913396 0.77 CA1 (0.57) L3MBTL1POLBALDH1A1MAPK1MEN1
SCHEMBL10912534 0.77 HPGD (0.49) HPGDMAPTPOLBALDH1A1GAA
SCHEMBL3774059 0.76 ALDH1A1 (0.52) HPGDMAPTL3MBTL1ALDH1A1CASP3
Dimethylamine SCHEMBL10914075 0.75 RAB9A (0.43) HPGDL3MBTL1ALDH1A1DDB1CRBN
SCHEMBL7015222 0.74 AHR (0.54) AHRHPGDMAPTPOLBMAOA

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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