SCHEMBL17978281

SCHEMBL17978281

O=C(OCBr)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
LMNA P02545 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.64
MAPT P10636 1/20 0.63
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 1/20 0.60
MAPK1 P28482 1/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
GAA P10253 2/20 0.55
APP P05067 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
AGTR1 P30556 1/20 0.55

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
SCHEMBL19350172 0.88 L3MBTL1 (0.68) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL30556174 0.87 L3MBTL1 (0.76) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL25009812 0.87 L3MBTL1 (0.76) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL14741028 0.85 LMNA (0.66) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL28833898 0.85 LMNA (0.74) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL10911030 0.85 L3MBTL1 (0.73) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL31259739 0.85 L3MBTL1 (0.73) KMT2ALMNATDP1L3MBTL1MAPT
Ethyl Nicotinate SCHEMBL9679078 0.84 L3MBTL1 (0.68) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL28174527 0.84 LMNA (0.76) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL28174523 0.84 LMNA (0.76) KMT2ALMNATDP1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO disclosed
WO-2024022332-A1 FAP INHIBITORS SHANGHAI SINOTAU BIOTECH. CO., LTD (CN) 2024-02-01 WO disclosed
WO-2022253252-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON BIOTECH CO., LTD. (CN) 2022-12-08 WO disclosed
CN-109952297-B Compound (I) 奥斯陆大学 2022-02-25 CN disclosed
CN-108137518-B 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-08-31 CN disclosed
CN-109153643-A Substituted indole MCL-1 inhibitors 范德比尔特大学 2019-01-04 CN disclosed
WO-2018157277-A1 ISOQUINOLIN AND NAPHTHYDRIN COMPOUNDS ELI LILLY AND COMPANY (US) 2018-09-07 WO disclosed
EP-3256468-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2017-12-20 EP disclosed
CN-105899509-A Isopropyl triazolopyridine compounds 伊莱利利公司 2016-08-24 CN disclosed
WO-2016127924-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-18 WO disclosed
CN-101589025-B Aminonicotinic acid and isonicotinic acid derivatives as dihydrolactate dehydrogenase (DHODH) inhibitors ALMIRALL LAB 2012-05-30 CN disclosed
CN-101589025-A Aminonicotinic acid and isonicotinic acid derivatives as dihydrolactate dehydrogenase (DHODH) inhibitors ALMIRALL LAB (ES) 2009-11-25 CN disclosed