SCHEMBL4295407

SCHEMBL4295407

CN(CCN(C)c1ccc([N+](=O)[O-])c2nocc12)C(=O)CI

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NSD2 O96028 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HCAR3 P49019 2/20 0.36
GSTP1 P09211 7/20 0.35
GSTM2 P28161 7/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL131795 0.84 MEN1 (0.52) MEN1KMT2ANSD2NCOA1NCOA3
SCHEMBL23612900 0.73 MEN1 (0.52) MEN1KMT2ANSD2NCOA1NCOA3
SCHEMBL14140891 0.73 MEN1 (0.54) MEN1KMT2ANSD2NCOA1NCOA3
SCHEMBL6951880 0.71 MEN1 (0.52) MEN1KMT2AGSTP1GSTM2
SCHEMBL3063567 0.69 MEN1 (0.52) MEN1KMT2ANSD2NCOA1NCOA3
SCHEMBL26025 0.69 MEN1 (0.49) MEN1KMT2AGSTP1GSTM2ALDH1A1
SCHEMBL6123423 0.66 MEN1 (0.51) MEN1KMT2AGSTP1GSTM2ALDH1A1
SCHEMBL4553099 0.66 GSTM2 (0.36) MEN1KMT2AGSTP1GSTM2ALDH1A1
SCHEMBL26054240 0.65 MEN1 (0.56) MEN1KMT2AHCAR3GSTP1GSTM2
SCHEMBL13104327 0.64 MEN1 (0.41) MEN1KMT2AGSTP1GSTM2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130302827-A1 ANNEXIN-BASED APOPTOSIS MARKERS UNIVERSITY OF SOUTHERN CALIFORNIA 2013-11-14 US claimed
US-8541549-B2 Annexin-based apoptosis markers UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-09-24 US claimed
US-20090246802-A1 ANNEXIN-BASED APOPTOSIS MARKERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US claimed
US-20130302827-A1 ANNEXIN-BASED APOPTOSIS MARKERS UNIVERSITY OF SOUTHERN CALIFORNIA 2013-11-14 US disclosed
US-8541549-B2 Annexin-based apoptosis markers UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-09-24 US disclosed
US-20090246802-A1 ANNEXIN-BASED APOPTOSIS MARKERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed