SCHEMBL11481128

SCHEMBL11481128

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.77
MAOA P21397 3/20 0.77
POLB P06746 2/20 0.75
CA12 O43570 2/20 0.75
CA9 Q16790 2/20 0.75
F12 P00748 1/20 0.64
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PKM P14618 1/20 0.58
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL31206250 1.00 MAOB (0.77) MAOBMAOAPOLBCA12CA9
SCHEMBL1369655 0.88 MAOB (0.81) MAOBMAOAPOLBCA12CA9
SCHEMBL5717527 0.87 MAOB (1.00) MAOBMAOAPOLBCA12CA9
SCHEMBL5190662 0.86 POLB (1.00) MAOBMAOAPOLBCA12CA9
SCHEMBL27951961 0.82 CA12 (0.74) MAOBMAOAPOLBCA12CA9
SCHEMBL2036575 0.81 MAOB (0.74) MAOBMAOAPOLBCA12CA9
SCHEMBL11473080 0.81 F12 (0.88) MAOBMAOAPOLBCA12CA9
SCHEMBL3609153 0.81 POLB (0.59) MAOBMAOAPOLBCA12CA9
Propene SCHEMBL27951962 0.80 MAOB (0.85) MAOBMAOAPOLBCA12CA9
SCHEMBL30595105 0.79 CA12 (0.69) 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-4240967-A BRIGHT COLORS WHICH ARE COLORFAST, DURABLE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-12-23 US disclosed