SCHEMBL7678609

SCHEMBL7678609

O=C(Oc1ccc(Cl)cn1)c1cc2cc([N+](=O)[O-])ccc2oc1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
MAOA P21397 3/20 0.57
POLB P06746 2/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F12 P00748 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.48
F2 P00734 2/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL7680586 0.81 F2 (0.70) MAOBCA12CA9KMT2AMEN1
SCHEMBL27951961 0.77 CA12 (0.74) MAOBMAOAPOLBCA12CA9
SCHEMBL7678743 0.75 MEN1 (0.58) MAOBMAOAPOLBCA12CA9
SCHEMBL31206250 0.75 MAOB (0.77) MAOBMAOAPOLBCA12CA9
SCHEMBL11481128 0.75 MAOB (0.77) MAOBMAOAPOLBCA12CA9
SCHEMBL1369655 0.75 MAOB (0.81) MAOBMAOAPOLBCA12CA9
SCHEMBL30595105 0.74 CA12 (0.69) MAOBMAOAPOLBCA12CA9
SCHEMBL7672880 0.74 CA12 (0.69) MAOBMAOAPOLBCA12CA9
SCHEMBL5717527 0.73 MAOB (1.00) MAOBMAOAPOLBCA12CA9
SCHEMBL5190662 0.72 POLB (1.00) MAOBMAOAPOLBCA12CA9

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-6355658-B1 COUMARIN ESTERS WITH ETHER GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-03-12 US disclosed