SCHEMBL40706

SCHEMBL40706

O=[N+]([O-])c1cc(Br)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HIF1A Q16665 1/20 0.62
VCAM1 P19320 1/20 0.58
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
S100A4 P26447 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MITF O75030 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.45
MMP2 P08253 1/20 0.45
CA14 Q9ULX7 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
SCHEMBL29429960 1.00 ALDH1A1 (0.62) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL6619 0.83 TDP1 (0.64) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL29399835 0.83 TDP1 (0.64) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL28871017 0.81 TDP1 (0.50) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL1561802 0.80 TSHR (0.56) ALDH1A1S100A4TRPV1ATMTDP1
Ethylene SCHEMBL27608389 0.80 TDP1 (0.60) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL12577116 0.79 ALDH1A1 (0.38) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL204357 0.78 S100A4 (0.61) ALDH1A1S100A4TRPV1MAPTMAPK1
SCHEMBL29395434 0.78 S100A4 (0.56) ALDH1A1S100A4TRPV1MAPTLMNA
SCHEMBL11579276 0.78 ALDH1A1 (0.67) ALDH1A1HIF1AVCAM1ATMTDP1

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 2544 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079918-A Isoxazole biphenyl compounds with CBP BRD and BRD4 BD2 inhibitory activity, and preparation method and application thereof 2026-05-26 CN claimed
CN-117362277-B Benzamide compound containing imidazolone structure, and preparation method and application thereof 沈阳药科大学 2025-02-11 CN claimed
CN-117362277-A Benzamide compound containing imidazolone structure, and preparation method and application thereof 沈阳药科大学 2024-01-09 CN claimed
CN-112500260-B Preparation method of 2-fluoro-5-bromoiodobenzene 山东瑞辰新材料有限公司 2022-12-27 CN claimed
CN-111153846-B Pyrrole compound, preparation method thereof, pharmaceutical composition and application CHINA PHARMACEUTICAL UNIVERSITY (CN) 2021-08-31 CN claimed
WO-2021143936-A1 INDOLE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国药科大学 2021-07-22 WO claimed
WO-2021143937-A1 PYRROLE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国药科大学 2021-07-22 WO claimed
CN-112500260-A Preparation method of 2-fluoro-5-bromoiodobenzene 山东瑞辰新材料有限公司 2021-03-16 CN claimed
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2020-07-07 US claimed
CN-111153850-A Indole compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2020-05-15 CN claimed
CN-104530107-A Synthetic method for 3-amino-4-fluorophenylboronic acid LIANHUA CHEMISTRY CO LTD DALIAN 2015-04-22 CN claimed
EP-2445345-B1 BENZAMIDE DERIVATIVES TRANSLATIONAL GENOMICS RES INST (US) 2014-08-27 EP claimed
US-20120142922-A1 BENZAMIDE DERIVATIVES TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2012-06-07 US claimed
EP-2445345-A1 BENZAMIDE DERIVATIVES The Translational Genomics Research Institute (US) 2012-05-02 EP claimed
CN-101445460-B Method for preparing 2-fluoride-5-alkoxyl aniline BINHAI KANGJIE CHEMICAL CO LTD 2011-11-16 CN claimed
CN-101450906-B Method for preparing 3-amino-4-fluorophenol TAIXING CHEMSPEC CHEMICALS CO LTD 2011-06-22 CN claimed
WO-2010151441-A1 BENZAMIDE DERIVATIVES TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2010-12-29 WO claimed
CN-101450906-A Method for preparing 3-amino-4-fluorophenol TAIXING KANGPENG CHEMICALS CO (CN) 2009-06-10 CN claimed
CN-101445460-A Method for preparing 2-fluoride-5-alkoxyl aniline BINHAI KANGJIE CHEMICAL CO LTD (CN) 2009-06-03 CN claimed
WO-2009002955-A1 PROCESS FOR THE PREPARATION OF (2R)-2-[4-(7-BROMO-2-QUINOLYLOXY)PHENOXY]PROPANOIC ACID SANOFI-AVENTIS U.S. LLC (US) 2008-12-31 WO claimed