SCHEMBL14140891

SCHEMBL14140891

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ GSTM2 P28161 14/20 0.46
▸ GSTP1 P09211 13/20 0.46
▸ MAPT P10636 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ SLC5A2 P31639 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 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
SCHEMBL23612900 0.88 MEN1 (0.52) MEN1KMT2AGSTM2GSTP1SLC5A2
SCHEMBL131795 0.88 MEN1 (0.52) MEN1KMT2AGSTM2GSTP1SLC5A2
SCHEMBL26054240 0.82 MEN1 (0.56) MEN1KMT2AGSTM2GSTP1
SCHEMBL18007677 0.81 KMT2A (0.61) MEN1KMT2AGSTM2GSTP1
SCHEMBL6951880 0.81 MEN1 (0.52) MEN1KMT2AGSTM2GSTP1SLC5A2
SCHEMBL17914175 0.80 MEN1 (0.63) MEN1KMT2AGSTM2GSTP1
SCHEMBL6259333 0.80 MEN1 (0.54) MEN1KMT2AGSTM2GSTP1
SCHEMBL6123423 0.80 MEN1 (0.51) MEN1KMT2AGSTM2GSTP1MAPT
SCHEMBL31135832 0.80 MEN1 (0.56) MEN1KMT2AGSTM2GSTP1SLC5A2
SCHEMBL4942785 0.80 MEN1 (0.56) MEN1KMT2AGSTM2GSTP1SLC5A2

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
US-20080166747-A1 Biosensor DUKE UNIVERSITY (US) 2008-07-10 — — US disclosed
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