SCHEMBL5285655

SCHEMBL5285655

COC(=O)Oc1cc2c(cc1C)-c1cc(C)ccc1CS2(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
MAOA P21397 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL5280563 0.88 KMT2A (0.38) MAPTKDM4EL3MBTL1SMN1; SMN2TSHR
SCHEMBL5288509 0.88 KMT2A (0.36) MAPTKDM4EHSD17B10TSHRHPGD
SCHEMBL5277972 0.81 MAPT (0.38) MAPTKDM4EHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL5279300 0.81 KMT2A (0.40) MAPTHSD17B10TSHRTDP1
SCHEMBL6777131 0.81 CYP46A1 (0.39) MAPTKDM4EHSD17B10HPGDTDP1
SCHEMBL5281217 0.78 NCEH1 (0.34) MAPTKDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL5277022 0.76 THRB (0.36) MAPTKDM4EHSD17B10TSHRHPGD
SCHEMBL5281418 0.76 KDM4E (0.35) MAPTKDM4EHSD17B10HPGD
SCHEMBL14342070 0.71 F2 (0.33) MAPTL3MBTL1SMN1; SMN2
SCHEMBL6775145 0.71 CYP46A1 (0.41) MAPTKDM4EHSD17B10TSHRHPGD

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