SCHEMBL6197458

SCHEMBL6197458

O=[N+]([O-])c1cccc(OC(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
F2 P00734 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TP53 P04637 1/20 0.47
ALDH1A1 P00352 5/20 0.47
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL28226986 0.83 TP53 (0.50) TSHRLMNAF2CHRNB2CHRNA4
SCHEMBL4106000 0.83 MEN1 (0.71) LMNAMEN1KMT2ATP53
SCHEMBL28265959 0.82 CHRNB2 (0.50) TSHRLMNAF2CHRNB2CHRNA4
SCHEMBL7671999 0.82 TSHR (0.55) TSHRLMNAMEN1KMT2AF2
SCHEMBL9190260 0.81 TSHR (0.50) TSHRLMNAMEN1KMT2AF2
SCHEMBL6983973 0.81 F2 (0.50) TSHRLMNAMEN1KMT2AF2
SCHEMBL17823328 0.80 CHRNB2 (0.55) TSHRLMNAMEN1KMT2AF2
SCHEMBL28069455 0.80 LMNA (0.48) LMNAMEN1KMT2AF2CHRNB2
SCHEMBL3879951 0.79 TSHR (0.52) TSHRLMNAF2CHRNB2CHRNA4
SCHEMBL20299326 0.79 TSHR (0.52) TSHRLMNAF2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072539-A Chemical synthesis method of pantoprazole dimer 四川摩尔生物制药有限公司 2021-07-06 CN claimed
EP-4323350-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2024-02-21 EP disclosed
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
EP-4278014-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
EP-4277901-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
WO-2022219407-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-10-20 WO disclosed
WO-2022152821-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
WO-2022152822-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
CN-113072539-A Chemical synthesis method of pantoprazole dimer 四川摩尔生物制药有限公司 2021-07-06 CN disclosed
CN-113072539-A Chemical synthesis method of pantoprazole dimer 四川摩尔生物制药有限公司 2021-07-06 CN disclosed
CN-105283443-B Hete rocyclic derivatives and application thereof 株式会社C&C新药研究所 2018-08-17 CN disclosed
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN disclosed
EP-0812308-B1 METHOD FOR SYNTHESIS OF ARYL DIFLUOROMETHYL ETHERS AND THE LIKE SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed
EP-0626361-B2 Process for the preparation of difluoromethoxy- and difluoromethylthioarenes BAYER AG (DE) 2000-07-12 EP disclosed
EP-0812308-A4 METHOD FOR SYNTHESIS OF ARYL DIFLUOROMETHYL ETHERS AND THE LIKE SMITHKLINE BEECHAM CORP (US) 1999-03-31 EP disclosed
US-5731477-A Method for synthesis of aryl difluoromethyl ethers SMITHKLINE BEECHAM CORPORATION (US) 1998-03-24 US disclosed
EP-0812308-A1 METHOD FOR SYNTHESIS OF ARYL DIFLUOROMETHYL ETHERS AND THE LIKE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-17 EP disclosed
WO-1996023754-A1 METHOD FOR SYNTHESIS OF ARYL DIFLUOROMETHYL ETHERS AND THE LIKE SMITHKLINE BEECHAM CORPORATION (US) 1996-08-08 WO disclosed
US-5463138-A Process for preparing difluoromethoxyarenes and difluoromethylthioarenes BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0626361-A1 Process for the preparation of difluoromethoxy- and difluoromethylthioarenes BAYER AG (DE) 1994-11-30 EP disclosed