SCHEMBL29975434

SCHEMBL29975434

O=C(O)c1ccc(F)c(Br)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
KDM4E B2RXH2 3/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALB P02768 2/20 0.41
DGAT1 O75907 1/20 0.38
MAP2K1 Q02750 2/20 0.38
MAP2K2 P36507 1/20 0.38
TSHR P16473 3/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
ACMSD Q8TDX5 2/20 0.36
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
GLA P06280 1/20 0.35
KEAP1 Q14145 1/20 0.35

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
SCHEMBL318609 1.00 CES2 (0.45) CES2CES1KDM4EASPHKDM8
SCHEMBL31094955 0.84 CYP1A2 (0.44) CES2CES1KDM4EASPHKDM8
SCHEMBL7558115 0.83 CES2 (0.50) CES2CES1KDM4EASPHKDM8
SCHEMBL4851530 0.83 KDM4E (0.42) CES2CES1KDM4EASPHKDM8
SCHEMBL24717969 0.81 CYP1A2 (0.41) CES2CES1KDM4EASPHKDM8
SCHEMBL30827695 0.81 DGAT1 (0.55) CES2CES1KDM4EDGAT1MAP2K1
SCHEMBL28221635 0.81 ALDH1A1 (0.47) CES2CES1DGAT1SMN1; SMN2ALDH1A1
SCHEMBL241797 0.79 CES2 (0.70) CES2CES1KDM4EASPHKDM8
SCHEMBL31225023 0.79 KDM4E (0.40) KDM4EASPHKDM8CYP1A2TSHR
SCHEMBL1671271 0.79 KDM4E (0.40) KDM4EASPHKDM8CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073282-A Method for rapidly preparing 3-bromo-2, 4-difluorobenzoic acid based on microchannel continuous flow technology 都创(重庆)医药科技有限公司 2022-09-20 CN claimed
EP-4714939-A1 SULFONAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2026-03-25 EP disclosed
CN-120035578-A Sulfonamide compound, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2025-05-23 CN disclosed
CN-112543764-B Amide compound with BET proteolytic induction effect and medical application thereof 田边三菱制药株式会社 2024-05-10 CN disclosed
CN-116261562-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2023-06-13 CN disclosed
CN-115073282-A Method for rapidly preparing 3-bromo-2, 4-difluorobenzoic acid based on microchannel continuous flow technology 都创(重庆)医药科技有限公司 2022-09-20 CN disclosed
CN-115073282-A Method for rapidly preparing 3-bromo-2, 4-difluorobenzoic acid based on microchannel continuous flow technology 都创(重庆)医药科技有限公司 2022-09-20 CN disclosed
CN-115073282-A Method for rapidly preparing 3-bromo-2, 4-difluorobenzoic acid based on microchannel continuous flow technology 都创(重庆)医药科技有限公司 2022-09-20 CN disclosed