SCHEMBL29758482

SCHEMBL29758482

O=C1Nc2cc(F)c(F)cc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.57
BCHE P06276 1/20 0.50
TGM2 P21980 7/20 0.48
MAOA P21397 4/20 0.45
MAOB P27338 4/20 0.45
ALDH1A1 P00352 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CAPN9 O14815 1/20 0.43
CASP3 P42574 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 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
SCHEMBL1589486 1.00 CES1 (0.57) CES1BCHETGM2MAOAMAOB
SCHEMBL1589052 0.84 CES1 (0.71) CES1BCHETGM2MAOAMAOB
SCHEMBL31381594 0.84 CES1 (0.62) CES1BCHETGM2MAOAMAOB
SCHEMBL29642612 0.84 CES1 (0.62) CES1BCHETGM2MAOAMAOB
SCHEMBL1588346 0.84 CES1 (0.58) CES1BCHETGM2MAOAMAOB
SCHEMBL1589457 0.84 CES1 (0.71) CES1BCHETGM2MAOAMAOB
SCHEMBL29539040 0.84 CES1 (0.58) CES1BCHETGM2MAOAMAOB
SCHEMBL1085000 0.84 CES1 (0.58) CES1BCHETGM2MAOAMAOB
SCHEMBL2731071 0.84 CES1 (0.62) CES1BCHETGM2MAOAMAOB
SCHEMBL3533499 0.84 CES1 (0.62) CES1BCHETGM2MAOAMAOB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552328-A Substituted isatin aromatic hydrocarbon copolymer, preparation method and polymer anion exchange membrane 北京志氢科技有限公司 2025-03-04 CN claimed
EP-4526289-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-03-26 EP disclosed
CN-119552328-A Substituted isatin aromatic hydrocarbon copolymer, preparation method and polymer anion exchange membrane 北京志氢科技有限公司 2025-03-04 CN disclosed
CN-119546574-A Antiviral indolinyl compounds and uses thereof 吉利德科学公司 2025-02-28 CN disclosed
CN-119462665-A 2-Fluoro-3-fatty amine tryptanthrin derivative, preparation method and application thereof 兴义民族师范学院 2025-02-18 CN disclosed
CN-115850284-B 8-Fluoro-9-fatty amine substituted tryptanthrin derivative, preparation method and application thereof 贵州大学 2024-08-02 CN disclosed
CN-117343368-A Preparation method of fluorine-containing polyaryl isatin anion exchange membrane 中国科学院大连化学物理研究所 2024-01-05 CN disclosed
WO-2023225162-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-11-23 WO disclosed
CN-114805353-B Synthesis of azatryptanthrin derivative and application of azatryptanthrin derivative in prevention and treatment of plant pathogenic bacteria, fungi bactericide and anti-plant virus preparation 贵州大学 2023-09-26 CN disclosed
CN-115850284-A 8-fluoro-9-fatty amine substituted tryptanthrin derivative, and preparation method and application thereof 贵州大学 2023-03-28 CN disclosed
CN-114805353-A Synthesis of azatryptanthrin derivative and application of azatryptanthrin derivative in prevention and treatment of plant pathogenic bacteria, fungi bactericide and anti-plant virus preparation 贵州大学 2022-07-29 CN disclosed