SCHEMBL9748133

SCHEMBL9748133

CCSc1scnc1OC(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL9749147 0.85 MAPK1 (0.40) HSD17B10ALDH1A1HPGDMAPK1MAPT
SCHEMBL9852546 0.83 PTGS1 (0.36) HSD17B10ALDH1A1HPGDMAPK1MAPT
SCHEMBL10690505 0.75 NPSR1 (0.38) HSD17B10ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL10872720 0.74 KDM4E (0.36) HSD17B10ALDH1A1HPGDKDM4EMAPT
SCHEMBL9852497 0.72 KDM4E (0.34) HSD17B10ALDH1A1HPGDKDM4EMAPT
SCHEMBL9748003 0.71 PTGS1 (0.36) HSD17B10ALDH1A1HPGDMAPK1MAPT
SCHEMBL16604856 0.69 HSD17B10 (0.36) HSD17B10ALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL9748006 0.69 KDM4E (0.42) HSD17B10ALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL9749314 0.69 HSD17B10 (0.40) HSD17B10ALDH1A1HPGDL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL16593684 0.68 KDM4E (0.41) HSD17B10ALDH1A1HPGDMAPK1L3MBTL1

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
EP-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed