SCHEMBL8722948

SCHEMBL8722948

O=[N+]([O-])c1ccc(Br)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.61
CTSB P07858 5/20 0.60
ALDH1A1 P00352 6/20 0.53
AR P10275 1/20 0.50
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPRT1 P00492 1/20 0.46
TSHR P16473 2/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL29643206 0.88 TDP1 (0.75) TDP1CTSBALDH1A1CYP3A4ALOX15
SCHEMBL2963038 0.88 TDP1 (0.75) TDP1CTSBALDH1A1CYP3A4ALOX15
SCHEMBL7788656 0.87 TDP1 (0.80) TDP1CTSBALDH1A1ARCYP3A4
SCHEMBL8819127 0.81 ALDH1A1 (0.52) TDP1CTSBALDH1A1CYP3A4ALOX15
SCHEMBL18302010 0.78 ALDH1A1 (0.49) TDP1CTSBALDH1A1ARCYP3A4
SCHEMBL17035156 0.77 TDP1 (0.53) TDP1CTSBALDH1A1CYP3A4ALOX15
SCHEMBL57166 0.77 TDP1 (1.00) TDP1CTSBALDH1A1CYP3A4ALOX15
SCHEMBL29475175 0.77 TDP1 (1.00) TDP1CTSBALDH1A1CYP3A4ALOX15
SCHEMBL15845425 0.76 CTSB (0.59) TDP1CTSBALDH1A1CYP3A4ALOX15
SCHEMBL246756 0.76 MAPT (0.58) TDP1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685518-B Organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2024-01-30 CN disclosed
CN-111057238-B Polyimide precursor composition and preparation method and application thereof 阜阳欣奕华材料科技有限公司 2023-06-09 CN disclosed
CN-114685518-A Organic compound, mixture, composition and organic electronic device 广州华睿光电材料有限公司 2022-07-01 CN disclosed
CN-111057238-A Polyimide precursor composition and preparation method and application thereof 阜阳欣奕华材料科技有限公司 2020-04-24 CN disclosed
EP-2997966-A1 Naphthyl Sulfonamide Pyrrolidine Derivatives as KEAP-1 Modulators for the Treatment of Diabetes, Obesity, Dyslipidemia and Related Disorders SANOFI (FR) 2016-03-23 EP disclosed
EP-2997966-A1 Naphthyl Sulfonamide Pyrrolidine Derivatives as KEAP-1 Modulators for the Treatment of Diabetes, Obesity, Dyslipidemia and Related Disorders SANOFI (FR) 2016-03-23 EP disclosed
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed