SCHEMBL3992139

SCHEMBL3992139

O=C(O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.65
HCAR3 P49019 3/20 0.52
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
DCTPP1 Q9H773 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CASP7 P55210 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH3A1 P30838 1/20 0.44

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
SCHEMBL3992132 1.00 MAPK1 (0.65) MAPK1HCAR3MAPTPKMRAB9A
SCHEMBL18919621 0.92 MAPK1 (0.59) MAPK1HCAR3MAPTPKMRAB9A
SCHEMBL18919619 0.92 MAPK1 (0.59) MAPK1HCAR3MAPTPKMRAB9A
SCHEMBL18919620 0.92 MAPK1 (0.59) MAPK1HCAR3MAPTPKMRAB9A
SCHEMBL16407599 0.88 MAPK1 (0.60) MAPK1HCAR3MAPTPKMRAB9A
SCHEMBL27930419 0.85 MAPK1 (0.54) MAPK1HCAR3MAPTNPSR1CYP3A4
SCHEMBL27930420 0.85 MAPK1 (0.54) MAPK1HCAR3MAPTNPSR1CYP3A4
SCHEMBL22495122 0.83 HCAR3 (0.59) MAPK1HCAR3MAPTPKMRAB9A
SCHEMBL4910166 0.83 LMNA (0.63) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL5857969 0.82 MAPK1 (0.64) MAPK1MAPTPKMRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778231-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP disclosed
EP-1778231-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020415-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO disclosed