SCHEMBL11045869

SCHEMBL11045869

O=[N+]([O-])Nc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CXCR2 P25025 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CXCR1 P25024 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
CASP7 P55210 1/20 0.37
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL11194725 0.76 TSHR (0.34) MEN1KMT2ACXCR2TDP1CXCR1
Nitric Acid SCHEMBL20984456 0.75 L3MBTL1 (0.46) MEN1KMT2ACXCR2TDP1CXCR1
SCHEMBL11214572 0.75 HSP90AA1 (0.39) MEN1KMT2ATDP1GAANPC1
SCHEMBL30335 0.74 NPC1 (0.49) MEN1KMT2ATDP1GAATP53
SCHEMBL7208909 0.74 MAPK1 (0.49) MEN1KMT2AHTTNPC1LMNA
SCHEMBL950729 0.74 MAPK1 (0.60) MEN1KMT2ATDP1GAANPC1
SCHEMBL6852072 0.74 RAB9A (0.47) MEN1KMT2ATDP1GAAHTT
SCHEMBL2333439 0.74 HSD17B10 (0.48) KMT2ATDP1GAAHTTNPC1
SCHEMBL45337 0.74 MAPT (0.47) MEN1KMT2ATDP1HDAC6GAA
SCHEMBL31374378 0.74 MAPK1 (0.49) MEN1KMT2AHTTNPC1LMNA

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
CN-106947282-B Monoazo compound, preparation method and its usage 王羽蘅 2019-06-18 CN claimed
CN-106947282-A Monoazo compound, preparation method and its usage 王羽蘅 2017-07-14 CN claimed
CN-106187814-B A kind of synthetic method of disperse dyes diazol 浙江闰土研究院有限公司 2018-09-28 CN disclosed
CN-106187814-A A kind of synthetic method of disperse dyes diazol 浙江闰土研究院有限公司 2016-12-07 CN disclosed
US-4465627-A FOR CELLULOSE AND LEATHER SANDOZ LTD. (CH) 1984-08-14 US disclosed