SCHEMBL17571858

SCHEMBL17571858

CCN(CCN(C)CCN)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ GSTP1 P09211 7/20 0.41
▸ GSTM2 P28161 7/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NSD2 O96028 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ IDO1 P14902 3/20 0.39
▸ G6PD P11413 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL1076589 0.85 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL3505281 0.81 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL17914175 0.79 MEN1 (0.63) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL4439764 0.77 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL7467184 0.76 MEN1 (0.56) MEN1KMT2AALDH1A1KCNH2GSTP1
SCHEMBL7463890 0.76 NSD2 (0.62) MEN1KMT2AL3MBTL1KCNH2GSTP1
SCHEMBL1484117 0.76 MEN1 (0.66) MEN1KMT2AMAPTL3MBTL1GSTP1
SCHEMBL6834711 0.75 MEN1 (0.69) MEN1KMT2AL3MBTL1GSTP1GSTM2
SCHEMBL25342264 0.75 IDO1 (0.47) MEN1KMT2AALDH1A1KCNH2GSTP1
SCHEMBL3016679 0.72 MEN1 (0.49) MEN1KMT2AKCNH2GSTP1GSTM2

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-2993477-A1 AUTOPHAGY AND PHOSPHOLIPIDOSIS PATHWAY ASSAYS Enzo Life Sciences, Inc. (US) 2016-03-09 — — EP disclosed
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