SCHEMBL168961

SCHEMBL168961

O=C(Cl)c1cccc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.63
▸ ALDH1A1 P00352 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ C1S P09871 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ TSHR P16473 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ GAA P10253 2/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL29760319 1.00 PARP1 (0.63) PARP1ALDH1A1TP53C1SHPGD
Methylene Chloride SCHEMBL28080178 0.94 PARP1 (0.57) PARP1ALDH1A1TP53C1SHPGD
SCHEMBL21815759 0.92 PARP1 (0.55) PARP1ALDH1A1TP53C1SHPGD
SCHEMBL8704652 0.89 CES2 (0.55) PARP1ALDH1A1TP53C1SHPGD
SCHEMBL27510 0.83 ALDH1A1 (0.59) PARP1ALDH1A1TSHRL3MBTL1ATM
SCHEMBL30153175 0.81 PARP1 (0.68) PARP1ALDH1A1TP53C1SHPGD
SCHEMBL241785 0.81 PARP1 (0.68) PARP1ALDH1A1TP53C1SHPGD
SCHEMBL6670439 0.81 PARP1 (0.68) PARP1ALDH1A1TP53C1SHPGD
Hydrochloric Acid SCHEMBL8084573 0.80 ALDH1A1 (0.57) PARP1ALDH1A1TSHRL3MBTL1ATM
Benzene SCHEMBL9243917 0.80 ALDH1A1 (0.57) PARP1ALDH1A1HPGDTSHRL3MBTL1

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

Appears in 2037 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554407-B Guanidine-containing antibacterial polymer, preparation method and application thereof 嘉兴富瑞邦新材料科技有限公司 2026-05-12 — — CN claimed
CN-118420509-A Room-temperature phosphorescent material of benzoyl Ding Xianya amine, and preparation method and application thereof 南京邮电大学 2024-08-02 — — CN claimed
CN-118027221-A Polysaccharide derivative, preparation method and organic room-temperature phosphorescent ink containing polysaccharide derivative and preparation method 中国科学院化学研究所 2024-05-14 — — CN claimed
CN-115701422-B Preparation method of KGP94 中国科学院昆明植物研究所 2024-02-09 — — CN claimed
CN-116253686-B Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-11-17 — — CN claimed
CN-116554407-A Guanidine-containing antibacterial polymer, preparation method and application thereof 嘉兴富瑞邦新材料科技有限公司 2023-08-08 — — CN claimed
CN-116284203-A Tanshinone IIA C-1 position esterified derivative and preparation method and application thereof 郑州大学 2023-06-23 — — CN claimed
CN-116262695-A Substituted benzophenone triptycene and preparation method thereof 中国科学院大连化学物理研究所 2023-06-16 — — CN claimed
CN-116253686-A Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-06-13 — — CN claimed
CN-115701422-A Preparation method of KGP94 中国科学院昆明植物研究所 2023-02-10 — — CN claimed
JP-2005526012-A — — 2005-09-02 — — JP claimed
CN-1610660-A Method for producing perfluoroalkane sulfonic acid esters and the salts thereof MERCK PATENT GMBH (DE) 2005-04-27 — — CN claimed
US-20050085655-A1 Reacting perfluoroalkanesulfonic acid directly with dialkyl carbonate to give alkyl perfluoroalkanesulfonate optionally in the presence of a water or alcohol consuming reagent, and preparing an alkyl perfluoroalkanesulfonate with an alkylamine or alkylphosphine to prepare perfluoroalkanesulfonic acid MERCK PATENT GMBH (DE) 2005-04-21 — — US claimed
EP-1472217-A2 METHOD FOR PRODUCING PERFLUOROALKANE SULFONIC ACID ESTERS AND THE SALTS THEREOF MERCK PATENT GmbH (DE) 2004-11-03 — — EP claimed
WO-2003053918-A2 METHOD FOR PRODUCING PERFLUOROALKANE SULFONIC ACID ESTERS AND THE SALTS THEREOF MERCK PATENT GMBH (DE) 2003-07-03 — — WO claimed
EP-1095005-A1 PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES ALBEMARLE CORPORATION (US) 2001-05-02 — — EP claimed
US-6096920-A LARGE-SCALE PRODUCTION OF CERTAIN AROMATICALLY-SUBSTITUTED ALIPHATIC CARBOXYLIC ACIDS AND THEIR ACID DERIVATIVES ALBEMARLE CORPORATION (US) 2000-08-01 — — US claimed
WO-2000002840-A1 PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES ALBEMARLE CORPORATION (US) 2000-01-20 — — WO claimed
WO-1998037052-A1 PREPARATION OF ARYL BROMOARYL KETONES AND CARBOXYLIC DERIVATIVES THEREOF ALBEMARLE CORPORATION (US) 1998-08-27 — — WO claimed
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 — — EP claimed
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