SCHEMBL23869372

SCHEMBL23869372

BrCCCOc1ccccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 3/20 0.38
JAK2 O60674 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
HTR7 P34969 2/20 0.36
HTR1A P08908 1/20 0.36
NPC1 O15118 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTR1B P28222 1/20 0.35
POLB P06746 1/20 0.35
PTK2B Q14289 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
SCHEMBL24838711 0.94 L3MBTL1 (0.38) KDM4EMAPTJAK2LMNAGAA
SCHEMBL30178764 0.94 L3MBTL1 (0.38) KDM4EMAPTJAK2LMNAGAA
SCHEMBL28348359 0.92 NPC1 (0.41) KDM4EMAPTJAK2LMNAGAA
SCHEMBL28348109 0.92 NPC1 (0.41) KDM4EMAPTJAK2LMNAGAA
SCHEMBL28348682 0.92 NPC1 (0.41) KDM4EMAPTJAK2LMNAGAA
SCHEMBL28348108 0.92 NPC1 (0.41) KDM4EMAPTJAK2LMNAGAA
SCHEMBL23630245 0.89 KDM4E (0.40) KDM4EMAPTJAK2LMNAGAA
SCHEMBL30291428 0.89 KDM4E (0.40) KDM4EMAPTJAK2LMNAGAA
SCHEMBL22005040 0.87 KDM4E (0.44) KDM4EMAPTJAK2LMNAGAA
SCHEMBL2705419 0.87 KDM4E (0.44) KDM4EMAPTJAK2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148294-A1 POLYMERIZATION CATALYST HAVING A TETRADENTATE LIGAND NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2023-05-11 US disclosed
US-20230148294-A1 POLYMERIZATION CATALYST HAVING A TETRADENTATE LIGAND NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2023-05-11 US disclosed
WO-2021191724-A1 POLYMERIZATION CATALYST HAVING A TETRADENTATE LIGAND NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2021-09-30 WO disclosed
CN-110563619-B Aryl alkyl sulfone compound and reduction coupling method for constructing sulfone compound 华东师范大学 2021-07-27 CN disclosed
CN-110563619-A Aryl alkyl sulfone compound and reduction coupling method for constructing sulfone compound 华东师范大学 2019-12-13 CN disclosed