SCHEMBL85604

SCHEMBL85604

O=[N+]([O-])c1ccc(F)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
HIF1A Q16665 1/20 0.69
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 4/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPRC P08575 1/20 0.48
S100A4 P26447 1/20 0.48
CYP19A1 P11511 1/20 0.48
GPR35 Q9HC97 2/20 0.47
CYP3A4 P08684 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HSPB1 P04792 2/20 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
SCHEMBL28252591 1.00 ALDH1A1 (0.69) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL29379039 1.00 ALDH1A1 (0.69) ALDH1A1HIF1ATSHRLMNATDP1
Hydrochloric Acid SCHEMBL30306150 0.98 ALDH1A1 (0.67) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL27621933 0.90 ALDH1A1 (0.58) ALDH1A1HIF1ATSHRLMNATDP1
Bicarbonate SCHEMBL28637012 0.90 ALDH1A1 (0.58) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL4910527 0.84 ALDH1A1 (0.67) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL7624344 0.84 ALDH1A1 (0.51) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL27739457 0.84 TDP1 (0.73) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL20380174 0.82 MAPT (0.58) ALDH1A1HIF1ALMNATDP1KMT2A
SCHEMBL35276 0.82 ALDH1A1 (1.00) ALDH1A1HIF1ATSHRLMNATDP1

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 3855 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118993958-A Method for synthesizing polyfluoroaryl sulfide 三峡大学 2024-11-22 CN claimed
EP-4398904-A1 SELECTED COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 Therapeutics, Inc. (US) 2024-07-17 EP claimed
EP-3652158-B1 METHOD FOR PREPARING PYRIMIDONE COMPOUND SUNSHINE LAKE PHARMA CO LTD (CN) 2024-05-29 EP claimed
EP-3315579-B1 SURFACE TREATMENT AGENT INCLUDING PERFLUORO(POLY)ETHER GROUP-CONTAINING SILANE COMPOUND DAIKIN IND LTD (JP) 2024-05-01 EP claimed
CN-113754606-B Phenoxazine diamine derivative and/or phenothiazine diamine derivative and preparation method thereof 南京工业大学 2024-03-29 CN claimed
CN-117720516-A Advantageous crystalline forms of selective BRD9 degrading agents C4医药公司 2024-03-19 CN claimed
CN-117288860-A Analysis method of genotoxic impurities in flurbiprofen 湖南九典宏阳制药有限公司 2023-12-26 CN claimed
CN-117186472-A High-temperature-resistant stretch-resistant colorful film and preparation method thereof 新航涂布科技(苏州)有限公司 2023-12-08 CN claimed
CN-115925647-A Production method of linezolid 湖北广济药业股份有限公司 2023-04-07 CN claimed
CN-111269126-B Preparation method of fusion casting carrier 1,2-difluoro-4,5-dinitrobenzene 北京理工大学重庆创新中心 2023-04-07 CN claimed
CN-1128132-C Prepn. of 2-acetonyloxy-3,4-difluoro nitrobenzene KUNSHAN SHUANGHE PHARMACEUTICA (CN) 2003-11-19 CN claimed
CN-1366550-A (R)-2-octanol dehydrogenase, process for producing enzyme, DNA encoding enzyme and process for producing alcohol by using same DAICEL CHEM (JP) 2002-08-28 CN claimed
CN-1357532-A Prepn. of 2-acetonyloxy-3,4-difluoro nitrobenzene KUNSHAN SHUANGHE PHARMACEUTICA (CN) 2002-07-10 CN claimed
CN-1357531-A Prepn. of 2-acetonyloxy-3,4-difluoro nitrobenzene KUNSHAN SHUANGHE PHARMACEUTICA (CN) 2002-07-10 CN claimed
CN-1268936-A Method for producing compound contg. fluorine, in particular fluorobenzaldhydes and fluorobnzonitriles AVENTIS RES & TECHNOLOGY GMBH (DE) 2000-10-04 CN claimed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US claimed
CN-1165298-A Method for identifying and quantifying polymers utilizing immunoassay techniques ROHM & HAAS (US) 1997-11-19 CN claimed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 US claimed
US-5478963-A 2,3-difluoro-6-nitrobenzonitrile and 2-chloro-5,6-difluorobenzonitrile-(2,3-difluoro-6-chlorobenzonitrile), process for their preparation and their use for the preparation of 2,3,6-trifluorobenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-26 US claimed
EP-0081790-A1 p-Phenylene diamines, their preparation and use Henkel Kommanditgesellschaft auf Aktien (DE) 1983-06-22 EP claimed