SCHEMBL5577004

SCHEMBL5577004

CC(=O)Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
LMNA P02545 3/20 0.62
POLB P06746 2/20 0.62
ALDH3A1 P30838 1/20 0.61
GAA P10253 2/20 0.58
PKM P14618 1/20 0.58
ESRRA P11474 1/20 0.53
MAPT P10636 6/20 0.53
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
GBA1 P04062 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL29066612 0.87 MEN1 (0.52) KMT2AMEN1LMNAPOLBALDH3A1
SCHEMBL3737974 0.86 MEN1 (0.69) KMT2AMEN1LMNAPOLBALDH3A1
SCHEMBL3737972 0.84 MEN1 (0.56) KMT2AMEN1LMNAPOLBALDH3A1
SCHEMBL2968268 0.82 MEN1 (0.67) KMT2AMEN1LMNAPOLBALDH3A1
SCHEMBL5235302 0.81 MAPT (0.59) KMT2AMEN1LMNAPOLBGAA
SCHEMBL5179219 0.81 ALDH1A1 (0.61) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL10939374 0.80 L3MBTL1 (0.56) KMT2AMEN1LMNAPKMALDH1A1
SCHEMBL1340930 0.79 MAPT (0.64) KMT2APOLBMAPTALDH1A1L3MBTL1
Acetanilide SCHEMBL27369510 0.79 NAPRT (0.68) KMT2AMEN1LMNAPOLBGAA
SCHEMBL13821439 0.78 ESRRA (0.59) KMT2AMEN1LMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1261356-A None JP disclosed
CN-102060790-B Quinoxaline double N-oxide derivative ligand and application thereof in promotion on copper-catalyzed C-O coupling reaction SHANGHAI INST TECHNOLOGY 2013-01-09 CN disclosed
WO-2007110876-A2 NOVEL SULFONANILIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND PROCESS THEREOF PANACEA BIOTEC LTD. (IN) 2007-10-04 WO disclosed
WO-2007110876-A2 NOVEL SULFONANILIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND PROCESS THEREOF PANACEA BIOTEC LTD. (IN) 2007-10-04 WO disclosed
JP-H01261356-A PRODUCTION OF 2-NITRO-4'-ACETAMINODIPHENYL ETHER WAKAYAMA SEIKA KOGYO KK 1989-10-18 JP disclosed