SCHEMBL29625877

SCHEMBL29625877

CCOc1ccc2c(oc3c(F)c(OCc4cc(F)c(F)c(F)c4)ccc32)c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC26A3 P40879 4/20 0.39
MAOB P27338 2/20 0.39
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
ACHE P22303 2/20 0.36
MAOA P21397 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
KDM1A O60341 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR2 P21452 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
NTSR1 P30989 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
SCHEMBL24540009 1.00 SLC26A3 (0.39) SLC26A3MAOBKDM4EALDH1A1ACHE
SCHEMBL17490422 0.87 MAOB (0.47) MAOBKDM4EMRGPRX4KDM1AL3MBTL1
SCHEMBL17641349 0.85 ALDH1A1 (0.45) KDM4EALDH1A1KDM1AHPGDHSD17B10
SCHEMBL30545647 0.82 KDM4E (0.36) KDM4EALDH1A1KDM1AHPGDHSD17B10
SCHEMBL18133460 0.82 ALDH1A1 (0.41) KDM4EALDH1A1KDM1AHPGDHSD17B10
SCHEMBL17490328 0.81 FFAR1 (0.44) MAOBALDH1A1MRGPRX4KDM1AHPGD
SCHEMBL29625871 0.81 MAOB (0.39) MAOBKDM4EALDH1A1MRGPRX4KDM1A
SCHEMBL24540173 0.81 MAOB (0.39) MAOBKDM4EALDH1A1MRGPRX4KDM1A
SCHEMBL17641350 0.79 ALDH1A1 (0.41) KDM4EALDH1A1MRGPRX4HPGDHSD17B10
SCHEMBL19625889 0.79 KDM4E (0.37) SLC26A3KDM4EALDH1A1KDM1AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263749-A1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES Merck Patent GmbH (DE) 2023-10-25 EP disclosed
CN-116670255-A Dibenzofuran and dibenzothiophene derivatives 默克专利股份有限公司 2023-08-29 CN disclosed
WO-2022128847-A1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed