SCHEMBL29450779

SCHEMBL29450779

Clc1ccc2sc3cccc(Br)c3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
IDO1 P14902 4/20 0.38
CYP2A6 P11509 3/20 0.36
ROCK1 Q13464 3/20 0.36
CMA1 P23946 1/20 0.35
GPR3 P46089 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TDO2 P48775 2/20 0.34
SLC9A1 P19634 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL24232362 1.00 KDM4E (0.51) KDM4EIDO1CYP2A6ROCK1CMA1
SCHEMBL20391686 0.87 KDM4E (0.40) KDM4EGPR3HDAC3HDAC4HDAC1
SCHEMBL15989801 0.86 KDM4E (0.40) KDM4ECMA1HDAC3HDAC4HDAC1
SCHEMBL29533985 0.86 KDM4E (0.40) KDM4ECMA1HDAC3HDAC4HDAC1
SCHEMBL25893635 0.86 PGR (0.44) KDM4ESLC9A1MAOBPIM1PIM2
SCHEMBL31541870 0.86 PGR (0.44) KDM4ESLC9A1MAOBPIM1PIM2
SCHEMBL23765013 0.81 SLC9A1 (0.41) KDM4ESLC9A1MAOBPIM1PIM2
SCHEMBL25073599 0.81 KDM4E (0.53) KDM4EIDO1CYP2A6ROCK1PIM1
SCHEMBL24343657 0.79 CHEK1 (0.41) KDM4EGPR3SLC9A1MAOB
SCHEMBL17252505 0.79 GPR3 (0.34) KDM4EGPR3SLC9A1MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025089913-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2025-05-01 WO disclosed
WO-2025063535-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2025-03-27 WO disclosed
CN-119264120-A Compound for organic optoelectronic device, composition for organic optoelectronic device, and display device 三星SDI株式会社 2025-01-07 CN disclosed
CN-112939946-B Compound and application thereof 北京鼎材科技有限公司 2024-10-29 CN disclosed
CN-117957217-A Compound for organic electric element, organic electric element using same, and electronic device using same 德山新勒克斯有限公司 2024-04-30 CN disclosed
CN-114144417-A Heterocyclic compound and organic light-emitting element including same LT素材株式会社 2022-03-04 CN disclosed