SCHEMBL6774138

SCHEMBL6774138

COC(=O)c1cc2c(cc1C)-c1cccc(F)c1CS2(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
IL2 P60568 3/20 0.37
KDM4E B2RXH2 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PKLR P30613 1/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PDK2 Q15119 3/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK14 Q16539 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL27567992 0.86 MAPK14 (0.38) SLC6A4SLC6A3PKLRHSD17B10TSHR
SCHEMBL5281418 0.82 KDM4E (0.35) NOTUMIL2KDM4EHSD17B10NPC1
SCHEMBL6784280 0.81 NOTUM (0.40) NOTUMKDM4ESLC6A4SLC6A3PKLR
Formic Acid SCHEMBL6783270 0.78 KDM4E (0.33) NOTUMKDM4EMAPK1
SCHEMBL6783272 0.78 KDM4E (0.32) KDM4EMAPK1
SCHEMBL6774260 0.78 PDK2 (0.41) KDM4ESLC6A4SLC6A3HSD17B10NPC1
SCHEMBL6778213 0.76 ALDH1A1 (0.37) NOTUMKDM4EPKLRHSD17B10TSHR
SCHEMBL8057061 0.76 KDM4E (0.36) KDM4ESLC6A3PKLRHSD17B10TSHR
SCHEMBL8060698 0.75 KDM4E (0.36) KDM4ESLC6A3PKLRHSD17B10TSHR
SCHEMBL6775145 0.75 CYP46A1 (0.41) KDM4EHSD17B10TSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1630649-A Dihydrothiaphenanthrenecarbonylguanidines: composition, process of making, and use as medicament or diagnostic aid AVENTIS PHARMACEUTICAL GERMANY (DE) 2005-06-22 CN disclosed
US-6730697-B2 FOR USE AS ANTIARRYTHMIC MEDICAMENTS WITH A CARDIOPROTECTIVE COMPONENT FOR PROPHYLAXIS OF AN INFARCTION AND THERAPY OF INFARCTION, AND FOR TREATMENT OF ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-04 US disclosed