SCHEMBL8752149

SCHEMBL8752149

Cc1csc(NC(=O)C(C(=O)OC(C)C)=C2SC=CS2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.55
PDE4D Q08499 1/20 0.55
MAPT P10636 2/20 0.44
RAB9A P51151 11/20 0.42
NPC1 O15118 9/20 0.42
POLB P06746 2/20 0.42
EPHX2 P34913 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
FFAR2 O15552 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RCE1 Q9Y256 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9523229 0.87 MAPT (0.43) MAPTRAB9ANPC1POLBEPHX2
Mivotilate SCHEMBL8752155 0.87 MAPT (0.43) MAPTRAB9ANPC1POLBEPHX2
SCHEMBL9673076 0.84 ALDH1A1 (0.45) MAPTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL9672609 0.81 ADRA1A (0.55) ADRA1APDE4DMAPTRAB9ANPC1
SCHEMBL8752170 0.79 ADRA1A (0.56) ADRA1APDE4DRAB9ANPC1POLB
SCHEMBL9674202 0.78 ADRA1A (0.55) ADRA1APDE4DMAPTRAB9ANPC1
SCHEMBL9673610 0.77 ADRA1A (0.54) ADRA1APDE4DMAPTRAB9ANPC1
SCHEMBL9706732 0.76 ADRA1A (0.72) ADRA1APDE4DSMN1; SMN2ALDH1A1GAA
SCHEMBL13694514 0.76 MAPT (0.55) MAPTRAB9ANPC1POLBEPHX2
SCHEMBL9673541 0.74 TSHR (0.56) ADRA1APDE4DMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766560-A1 USE OF THIOKETENE DERIVATIVES FOR PREVENTING OR TREATING HEPATITIS B YUHAN CORPORATION, LTD. (KR) 1997-04-09 EP disclosed
WO-1996033711-A2 USE OF THIOKETENE DERIVATIVES FOR PREVENTING OR TREATING HEPATITIS B YUHAN CORPORATION (KR) 1996-10-31 WO disclosed
US-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed
EP-0298040-B1 1,3-DITHIOL-2-YLIDENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1992-08-26 EP disclosed
EP-0298040-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 EP disclosed