SCHEMBL10909868

SCHEMBL10909868

CN(C)CCOc1cccc2c1C(=O)N(CCCO[N+](=O)[O-])C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ POLB P06746 3/20 0.46
▸ PABPC1 P11940 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ NR1I2 O75469 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ FTO Q9C0B1 1/20 0.43
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ HEXA P06865 1/20 0.40
▸ HEXB P07686 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
SCHEMBL10914068 0.94 PABPC1 (0.45) ALDH1A1POLBPABPC1MEN1KMT2A
SCHEMBL10912075 0.90 ALDH1A1 (0.47) ALDH1A1POLBPABPC1MEN1KMT2A
SCHEMBL10911938 0.90 MAOB (0.43) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL10912182 0.87 BCHE (0.44) MAOB
Dimethylamine SCHEMBL10913743 0.85 RAB9A (0.41) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL10913737 0.85 ALDH1A1 (0.37) ALDH1A1POLBPABPC1MEN1KMT2A
SCHEMBL10913068 0.85 BCHE (0.46) MAOB
Dimethylamine SCHEMBL10909871 0.84 PDE10A (0.41) ALDH1A1POLBMEN1KMT2ALMNA
Diethylamine SCHEMBL10909850 0.83 RAB9A (0.40) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL10912179 0.83 KMT2A (0.45) ALDH1A1POLBPABPC1MEN1KMT2A

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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