SCHEMBL9848814

SCHEMBL9848814

COC(=O)CN(C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX5 P09917 1/20 0.46
NR3C2 P08235 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL7560433 0.89 ALDH1A1 (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9298402 0.87 MAPT (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL16943231 0.83 MAPT (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31679530 0.82 ALDH1A1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15584389 0.82 MAPT (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9167642 0.81 MEN1 (0.53) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3618567 0.80 HDAC1 (0.37) ALDH1A1KDM4EMAPK1
SCHEMBL6349781 0.80 MAPT (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL30270586 0.80 CYP1A2 (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15155861 0.80 MAPT (0.48) MEN1KMT2AMAPTNPC1RAB9A

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-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed