SCHEMBL6277895

SCHEMBL6277895

N#Cc1cccc(/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.45
PKM P14618 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
FBP1 P09467 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 2/20 0.40

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
SCHEMBL6277898 1.00 MAOB (0.46) MAOBMAOAPKMGPR55FBP1
SCHEMBL600337 0.87 MAOB (0.55) MAOBPKMGPR55MEN1KMT2A
SCHEMBL600336 0.87 MAOB (0.55) MAOBPKMGPR55MEN1KMT2A
SCHEMBL11224609 0.83 MAOB (0.59) MAOBPKMGPR55MEN1KMT2A
SCHEMBL11224607 0.83 MAOB (0.59) MAOBPKMGPR55MEN1KMT2A
SCHEMBL11224613 0.83 MAOB (0.59) MAOBPKMGPR55MEN1KMT2A
SCHEMBL6285273 0.83 MAOB (0.50) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6285284 0.83 MAOB (0.50) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL622906 0.81 AKR1C1 (0.62) PKMFBP1MEN1KMT2AALDH1A1
SCHEMBL622907 0.81 AKR1C1 (0.62) PKMFBP1MEN1KMT2AALDH1A1

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
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed
EP-1091955-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-04-18 EP disclosed
WO-1999050263-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed