SCHEMBL10911968

SCHEMBL10911968

CC(C)(C)NCC(O)COc1ccc2c(c1)C(=O)N(CCCO[N+](=O)[O-])C2=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CA2 P00918 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ADRB2 P07550 3/20 0.39
▸ ADRB1 P08588 3/20 0.39
▸ ADRB3 P13945 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL10911697 0.94 MEN1 (0.45) MEN1HTTKMT2AL3MBTL1CYP2D6
SCHEMBL10909998 0.88 ADRB2 (0.46) CYP2D6POLBADRB2ADRB1ADRB3
SCHEMBL10911546 0.86 POLB (0.41) MEN1HTTKMT2APOLBCA2
SCHEMBL10909686 0.84 KMT2A (0.45) MEN1HTTKMT2AL3MBTL1CYP2D6
SCHEMBL10913825 0.82 ADRB2 (0.47) CYP2D6ADRB2ADRB1ADRB3
SCHEMBL10912183 0.82 ADRB2 (0.47) MEN1KMT2AL3MBTL1ADRB2ADRB1
SCHEMBL10912028 0.80 ATM (0.39) KMT2APOLBCA2ADRB2ADRB1
SCHEMBL10910014 0.79 POLB (0.43) MEN1HTTKMT2AL3MBTL1POLB
SCHEMBL10913454 0.79 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1ALDH1A1ADRB2
Dimethylamine SCHEMBL10912051 0.78 RPS6KA2 (0.49) MEN1HTTKMT2AL3MBTL1POLB

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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