SCHEMBL29625871

SCHEMBL29625871

CCOc1ccc2c(sc3c(F)c(OCc4cc(F)c(F)c(F)c4)ccc32)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.35
KDM4E B2RXH2 3/20 0.33
KDM1A O60341 2/20 0.33
TACR2 P21452 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
FGFR2 P21802 1/20 0.33
EGFR P00533 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL24540173 1.00 MAOB (0.39) MAOBMRGPRX4KDM4EKDM1ATACR2
SCHEMBL24540167 0.89 MRGPRX4 (0.43) MAOBMRGPRX4MAPK1MAPTPKM
SCHEMBL17490422 0.87 MAOB (0.47) MAOBMRGPRX4KDM4EKDM1ATACR2
SCHEMBL17189716 0.85 KDM4E (0.42) KDM4EKDM1AMAPK1HSD17B10GAA
SCHEMBL17490328 0.81 FFAR1 (0.44) MAOBMRGPRX4KDM1ATACR2MAPK1
SCHEMBL29625877 0.81 SLC26A3 (0.39) MAOBMRGPRX4KDM4EKDM1ATACR2
SCHEMBL24540009 0.81 SLC26A3 (0.39) MAOBMRGPRX4KDM4EKDM1ATACR2
SCHEMBL17189714 0.79 KDM4E (0.40) MRGPRX4KDM4EMAPK1HSD17B10GAA
SCHEMBL29563616 0.78 L3MBTL1 (0.41) KDM4EKDM1AMAPK1HSD17B10GAA
SCHEMBL30589501 0.78 L3MBTL1 (0.41) KDM4EKDM1AMAPK1HSD17B10GAA

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