SCHEMBL85657

SCHEMBL85657

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.50
ALDH1A1 P00352 6/20 0.49
POLB P06746 1/20 0.48
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HIF1A Q16665 1/20 0.43
AR P10275 5/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL30619342 0.85 PDE7A (0.47) PDE7AALDH1A1POLBPTPRCS100A4
SCHEMBL15123102 0.85 PDE7A (0.47) PDE7AALDH1A1POLBPTPRCS100A4
SCHEMBL1999857 0.82 PDE7A (0.54) PDE7AALDH1A1POLBPTPRCS100A4
SCHEMBL25784184 0.81 SMN1; SMN2 (0.55) PDE7AALDH1A1PTPRCS100A4CYP3A4
SCHEMBL3207733 0.81 AR (0.53) PDE7AALDH1A1POLBPTPRCS100A4
SCHEMBL31138869 0.79 ALDH1A1 (0.53) PDE7AALDH1A1POLBCYP3A4TDP1
SCHEMBL3965308 0.79 PDE7A (0.51) PDE7AALDH1A1POLBTDP1HIF1A
SCHEMBL85544 0.79 ALDH1A1 (0.58) PDE7AALDH1A1POLBTDP1HIF1A
Water SCHEMBL27993079 0.79 AR (0.52) PDE7AALDH1A1POLBPTPRCS100A4
SCHEMBL4310481 0.79 ALDH1A1 (0.53) PDE7AALDH1A1POLBCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121574370-A Polyimide resin with high light transmittance and preparation method thereof 安徽三旺化学有限公司 2026-02-27 CN claimed
CN-119638615-A Pyridine-containing terphenyl diamine, colorless transparent polyimide, and preparation methods and applications thereof 华南理工大学 2025-03-18 CN claimed
WO-2023119334-A1 ANTI-CANCER COMPOUND BY COMBINING PONATINIB MOLECULE WITH HDAC INHIBITOR MOLECULE USING A VARIABLE LENGTH LINKER AMRITA VISHWA VIDYAPEETHAM (IN) 2023-06-29 WO claimed
CN-115991873-A Low-dielectric fluorinated aromatic polyimide film and preparation method thereof 慧创(东莞)材料技术有限责任公司 2023-04-21 CN claimed
CN-111807964-B Preparation method of 4,4 '-dinitro-2,2' -bis (trifluoromethyl) diphenyl ether 天津众泰材料科技有限公司 2023-01-10 CN claimed
CN-112939818-B Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride 江苏扬农化工股份有限公司 2022-05-24 CN claimed
CN-109535005-B Preparation method of 2,2 '-bis (trifluoromethyl) -4,4' -diaminobiphenyl 山东华夏神舟新材料有限公司 2022-01-25 CN claimed
CN-112939818-A Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride 江苏扬农化工股份有限公司 2021-06-11 CN claimed
CN-108864454-B High-transparency and high-flexibility polyimide film for electronic device and preparation method 山西绿普光电新材料科技有限公司 2020-12-11 CN claimed
CN-111807964-A Preparation method of 4,4 '-dinitro-2, 2' -bistrifluoromethyldiphenyl ether 天津市众泰化工科技有限公司 2020-10-23 CN claimed
CN-106905104-B Synthesis method of 2-bromo-5-fluorobenzotrifluoride 浙江巍华新材料股份有限公司 2019-12-24 CN claimed
CN-105237730-A Preparation method of heat-resistant heat-conduction polyurethane material CHUZHOU HUANQIU POLYURETHANE TECHNOLOGY CO LTD 2016-01-13 CN claimed
CN-105237723-A Preparation method of heat-conduction polyurethane material CHUZHOU HUANQIU POLYURETHANE TECHNOLOGY CO LTD 2016-01-13 CN claimed
CN-103694176-B Preparation method of nilotinib intermediate Suzhou lixin pharmaceutical co ltd 2015-02-18 CN claimed
CN-103694176-A Preparation method of nilotinib intermediate Suzhou lixin pharmaceutical co ltd 2014-04-02 CN claimed
CN-1978487-A 4-styryl-3-Trifluoro methyl benzeneamine and its polyimide resin, and its preparing method CHINESE ACAD INST CHEMISTRY (CN) 2007-06-13 CN claimed
JP-2138154-A None JP disclosed
CN-121574370-A Polyimide resin with high light transmittance and preparation method thereof 安徽三旺化学有限公司 2026-02-27 CN disclosed
US-4225731-A Process for the preparation of trifluoromethylphenols BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
EP-0000542-A1 Process for the preparation of trifluoromethyl phenols BAYER AG (DE) 1979-02-07 EP disclosed