SCHEMBL507128

SCHEMBL507128

N#Cc1cnccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
AR P10275 11/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPA1 O75762 1/20 0.39
PRKCQ Q04759 4/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PRKCD Q05655 3/20 0.38
PDE10A Q9Y233 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL31240804 1.00 HTT (0.42) HTTARMEN1KMT2ATRPA1
Hydrochloric Acid SCHEMBL4572873 0.98 HTT (0.41) HTTARMEN1KMT2ATRPA1
SCHEMBL30947612 0.85 HTT (0.40) HTTARMEN1KMT2ANCOA3
SCHEMBL34463384 0.84 KMT2A (0.44) HTTARMEN1KMT2ANCOA3
SCHEMBL6122108 0.84 KMT2A (0.44) HTTARMEN1KMT2ANCOA3
SCHEMBL5244520 0.83 MEN1 (0.34) HTTARMEN1KMT2ATRPA1
SCHEMBL27896462 0.82 HDAC8 (0.38) MEN1KMT2A
SCHEMBL6672265 0.80 HTT (0.42) HTTMEN1KMT2ANCOA3
SCHEMBL1040750 0.80 SLC22A12 (0.38) PDE10A
SCHEMBL27896461 0.74 SLC22A12 (0.35)

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 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP claimed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
CN-115611806-B Preparation method of 4-trifluoromethyl-3-cyanopyridine 江苏中旗科技股份有限公司 2024-11-19 CN claimed
CN-118852123-A Novel heterocyclic compounds as Pol theta inhibitors for the treatment and prevention of cancer and pharmaceutical compositions containing the same 株式会社大熊制药 2024-10-29 CN claimed
CN-118388402-A Continuous preparation method of 3-cyano-4-trifluoromethyl pyridine 山东京博生物科技有限公司 2024-07-26 CN claimed
CN-118348182-A Ultrahigh performance liquid chromatography central control analysis method for 3-cyano-4-trifluoromethylpyridine 山东京博生物科技有限公司 2024-07-16 CN claimed
CN-114315709-B Synthesis method of 4-trifluoromethyl nicotinic acid 西安近代化学研究所 2024-05-10 CN claimed
CN-117199519-A Electrolyte, preparation method and application thereof, and lithium battery 北京纳米能源与系统研究所 2023-12-08 CN claimed
CN-117085700-A Preparation method and application method of special catalyst for dechlorination 西安凯立新材料股份有限公司 2023-11-21 CN claimed
CN-115611806-A Preparation method of 4-trifluoromethyl-3-cyanopyridine 江苏中旗科技股份有限公司 2023-01-17 CN claimed
CN-115605466-A Substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司(US) 2023-01-13 CN claimed
CN-114315709-A Synthetic method of 4-trifluoromethyl nicotinic acid 西安近代化学研究所 2022-04-12 CN claimed
CN-112110855-B Method for preparing 3-cyano-4-trifluoromethylpyridine by using Ni-Fe/C bimetallic supported catalyst 山东京博生物科技有限公司 2021-05-25 CN claimed
CN-108191749-B Preparation method of flonicamid and intermediate 4-trifluoromethyl nicotinic acid thereof 上海赫腾精细化工有限公司 2021-04-13 CN claimed
CN-112110855-A Method for preparing 3-cyano-4-trifluoromethylpyridine by using Ni-Fe/C bimetallic supported catalyst 山东京博生物科技有限公司 2020-12-22 CN claimed
CN-111153825-A Method for preparing amide compound by using supported metal oxide catalytic material 浙江大学 2020-05-15 CN claimed
CN-103694168-B The preparation method of the chloro-4-trifluoromethyl-nicotinonitrile of a kind of 6- GUIZHOU WYLTON JINGLIN ELECTRONIC MATERIAL CORP. (CN) 2015-08-19 CN claimed
EP-2205083-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP claimed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO claimed
CN-101128470-A Novel compounds ASTRAZENECA AB (SE) 2008-02-20 CN claimed