SCHEMBL5281217

SCHEMBL5281217

COC(=O)Oc1cc2c(cc1C)-c1c(ccc3ccccc13)CS2(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
WDR5 P61964 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
SCHEMBL6778221 0.83 MAPT (0.44) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL5285655 0.78 MAPT (0.33) MAPTKDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL14342068 0.76 ALDH1A1 (0.32) KDM4EHPGDALDH1A1
Formic Acid SCHEMBL6779721 0.73 KLK1 (0.33) HPGDALDH1A1
Formic Acid SCHEMBL6779717 0.73 KLK1 (0.33) HPGDALDH1A1
SCHEMBL5277022 0.71 THRB (0.36) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL5281418 0.71 KDM4E (0.35) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL6778213 0.65 ALDH1A1 (0.37) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL28684572 0.65 HSD17B10 (0.55) NCEH1KDM4EMTNR1AMTNR1BLMNA
SCHEMBL29525161 0.64 HSD17B10 (0.67) KDM4EMEN1KMT2AHPGDHSD17B10

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