SCHEMBL11818596

SCHEMBL11818596

CNC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
GSK3B P49841 1/20 0.59
MAPK1 P28482 1/20 0.55
NPC1 O15118 1/20 0.54
CES1 P23141 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
MMP8 P22894 1/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL11510574 0.85 GSK3B (0.71) MEN1KMT2AGSK3BMAPK1CES1
SCHEMBL279440 0.82 MAPK1 (0.63) MEN1KMT2AGSK3BMAPK1NPC1
SCHEMBL255269 0.81 GSK3B (0.61) MEN1KMT2AGSK3BMAPK1NPC1
SCHEMBL7208394 0.80 GSK3B (0.65) MEN1KMT2AGSK3BMAPK1CES1
SCHEMBL5474416 0.79 MEN1 (0.59) MEN1KMT2AGSK3BMAPK1NPC1
SCHEMBL8280792 0.79 ALDH1A1 (0.60) MEN1KMT2ANPC1CA2ALDH1A1
SCHEMBL28356894 0.79 GSK3B (0.54) MEN1KMT2AGSK3BMAPK1NPC1
SCHEMBL6756989 0.79 TSHR (0.63) MEN1KMT2AGSK3BMAPK1CES1
SCHEMBL873998 0.79 GSK3B (0.62) MEN1KMT2AGSK3BMAPK1CES1
SCHEMBL9207986 0.79 CES1 (0.70) MEN1KMT2AGSK3BMAPK1NPC1

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-3932182-A An organic photoconductive composition comprising an organic photoconductive compound and a sensitizing compound having an active methylene group MITSUBISHI PAPER MILLS, LTD. (JA) 1976-01-13 US disclosed