SCHEMBL9298402

SCHEMBL9298402

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
NR3C2 P08235 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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 0.88 ALDH1A1 (0.46) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL9848814 0.87 MEN1 (0.46) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL16943231 0.82 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL31679530 0.81 ALDH1A1 (0.48) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL3913255 0.81 ALDH1A1 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL29868333 0.81 ALDH1A1 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL4664640 0.80 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL15155861 0.79 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL15584389 0.79 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL25695965 0.78 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed