SCHEMBL10911546

SCHEMBL10911546

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ ADRB2 P07550 3/20 0.37
▸ ADRB1 P08588 2/20 0.37
▸ ABCB1 P08183 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL10912028 0.94 ATM (0.39) POLBKMT2AATMTOP2AADRB2
SCHEMBL10909998 0.87 ADRB2 (0.46) POLBADRB2ADRB1
SCHEMBL10911968 0.86 MEN1 (0.44) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL10909760 0.86 RPS6KA2 (0.46) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL10912136 0.84 KMT2A (0.39) KMT2AATMTOP2AADRB2ADRB1
SCHEMBL10912665 0.83 KDM4E (0.45) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL10909775 0.83 RPS6KA2 (0.45) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL10913825 0.81 ADRB2 (0.47) ADRB2ADRB1
Diethylamine SCHEMBL10913285 0.81 POLB (0.44) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL10911697 0.80 MEN1 (0.45) POLBKMT2AMEN1HTTADRB2

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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