SCHEMBL29804236

SCHEMBL29804236

O=C1CCc2ccc(Br)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.64
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PARP10 Q53GL7 2/20 0.56
PARP1 P09874 1/20 0.56
S100A4 P26447 1/20 0.46
TYMS P04818 2/20 0.46
METAP1 P53582 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP2 O95551 1/20 0.43
PARP11 Q9NR21 1/20 0.43
HSD17B1 P14061 1/20 0.43
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
BRD4 O60885 1/20 0.41
PTGS2 P35354 1/20 0.41
CMA1 P23946 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL27286 1.00 PBRM1 (0.64) PBRM1TDP1L3MBTL1PARP10PARP1
SCHEMBL24753297 0.88 PARP10 (0.53) PBRM1TDP1L3MBTL1PARP10PARP1
SCHEMBL29483386 0.88 MAOA (0.53) PBRM1TDP1L3MBTL1PARP10PARP1
SCHEMBL3006544 0.88 PARP10 (0.53) PBRM1TDP1L3MBTL1PARP10PARP1
SCHEMBL355820 0.88 MAOA (0.53) PBRM1TDP1L3MBTL1PARP10PARP1
SCHEMBL16230083 0.88 TDP1 (0.63) PBRM1TDP1L3MBTL1PARP10PARP1
Formic Acid Methyl Ester SCHEMBL28108237 0.86 PBRM1 (0.50) PBRM1TDP1L3MBTL1PARP10PARP1
SCHEMBL358939 0.84 TDP1 (0.81) PBRM1TDP1L3MBTL1PARP10PARP1
SCHEMBL598138 0.84 TDP1 (0.61) PBRM1TDP1L3MBTL1PARP10PARP1
SCHEMBL27039 0.83 CASP1 (0.59) PBRM1TDP1L3MBTL1PARP10S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067457-A1 HETEROCYCLIC FUSED RING COMPOUND, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-04-03 WO disclosed
EP-4519267-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2025-03-12 EP disclosed
CN-119156389-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-12-17 CN disclosed
CN-118955495-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-11-15 CN disclosed
CN-113631541-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-10-01 CN disclosed
EP-4426287-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF The Regents of the University of California (US) 2024-09-11 EP disclosed
CN-113330008-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-05-07 CN disclosed
CN-117720541-A Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2024-03-19 CN disclosed
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
CN-114014842-B Heterocyclic ketone compound and composition thereof, and preparation method and application thereof 中国药科大学 2024-03-01 CN disclosed
CN-117384165-A Chimeric compound for EGFR protein targeted degradation, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-01-12 CN disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
WO-2023213271-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-11-09 WO disclosed
CN-111902413-B Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2023-10-17 CN disclosed
CN-110177783-B Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-06-06 CN disclosed
WO-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
WO-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN disclosed