SCHEMBL5282508

SCHEMBL5282508

COC(=O)Oc1cc2c(cc1C)-c1ccccc1CS2(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LYPLA2 O95372 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
SCHEMBL5285655 0.87 MAPT (0.33) KDM4EMAPTHPGDHSD17B10TDP1
SCHEMBL5279300 0.85 KMT2A (0.40) MAPTHSD17B10MEN1KMT2ATDP1
SCHEMBL5277972 0.85 MAPT (0.38) KDM4EMAPTHSD17B10MEN1KMT2A
SCHEMBL5288509 0.85 KMT2A (0.36) KDM4EMAPTHPGDHSD17B10MEN1
SCHEMBL5280563 0.85 KMT2A (0.38) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL5277022 0.81 THRB (0.36) KDM4EMAPTHPGDHSD17B10MEN1
SCHEMBL5281418 0.81 KDM4E (0.35) KDM4EMAPTHPGDHSD17B10NOTUM
SCHEMBL5281217 0.81 NCEH1 (0.34) KDM4EMAPTHPGDHSD17B10MEN1
SCHEMBL6784280 0.80 NOTUM (0.40) KDM4EMAPTHPGDHSD17B10NOTUM
SCHEMBL14341822 0.71 NOTUM (0.34) KDM4EMAPTHPGDNOTUMMEN1

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-1474414-B1 DIHYDRO-THIA-PHENANTHRENE-CARBONYL-GUANIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT OR DIAGNOSTIC REAGENT SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-12 EP disclosed
EP-1474414-A1 DIHYDRO-THIA-PHENANTHRENE-CARBONYL-GUANIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT OR DIAGNOSTIC REAGENT Aventis Pharma Deutschland GmbH (DE) 2004-11-10 EP disclosed
WO-2003066620-A1 DIHYDRO-THIA-PHENANTHRENE-CARBONYL-GUANIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT OR DIAGNOSTIC REAGENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-14 WO disclosed