SCHEMBL8399457

SCHEMBL8399457

COCCOc1c(Cl)ccc(OC)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 12/20 0.45
MAPT P10636 10/20 0.45
HPGD P15428 8/20 0.45
MAPK1 P28482 5/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3840051 0.76 MEN1 (0.38) L3MBTL1MAPTHPGDMAPK1POLB
SCHEMBL31200861 0.73 SMN1; SMN2 (0.47) L3MBTL1MAPTHPGDMAPK1CYP2C9
SCHEMBL29663904 0.71 HTR2A (0.42) L3MBTL1MAPTHPGDMAPK1POLB
SCHEMBL20899378 0.71 HTR2A (0.42) L3MBTL1MAPTHPGDMAPK1POLB
SCHEMBL8265598 0.70 HPGD (0.50) L3MBTL1MAPTHPGDMAPK1POLB
SCHEMBL8420493 0.70 KDM4E (0.60) MAPTHPGDMAPK1POLBMEN1
SCHEMBL31437826 0.70 KDM4E (0.60) MAPTHPGDMAPK1POLBMEN1
SCHEMBL4510682 0.70 MEN1 (0.33) L3MBTL1POLBMEN1KMT2A
SCHEMBL27285656 0.68 MAPT (0.44) L3MBTL1MAPTHPGDMAPK1POLB
SCHEMBL6718819 0.68 CA2 (0.47) MAPTHPGDALDH1A1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929107-A INHIBITORS OF ACYL-COA:CHOLESTEROL ACYLTRANSFERASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0585913-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-12-29 EP disclosed
US-5700810-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-23 US disclosed
US-5492929-A ENZYME INHIBITORS, ANTICHOLESTEROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-20 US disclosed
US-5482967-A LOWERING CHOLESTEROL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
CN-1095718-A Condensed heterocycle compound, their preparation and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-11-30 CN disclosed
CN-1090274-A Condensed heterocyclic compounds and its preparation method and application TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-08-03 CN disclosed
EP-0602598-A1 3-Phenylindolyl-, -benzofuranyl- and -benzothienyl- alkylcarboxanilides, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-06-22 EP disclosed
EP-0585913-A2 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-09 EP disclosed