SCHEMBL9523229

SCHEMBL9523229

Cc1csc(NC(=O)C(C(=O)OC(C)C)=C2SCCS2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
RAB9A P51151 6/20 0.42
EPHX2 P34913 2/20 0.41
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
CNR2 P34972 1/20 0.40
FFAR2 O15552 1/20 0.40
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 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
Mivotilate SCHEMBL8752155 0.93 MAPT (0.43) MAPTRAB9AEPHX2NPC1SMN1; SMN2
SCHEMBL8752149 0.87 ADRA1A (0.55) MAPTRAB9AEPHX2NPC1SMN1; SMN2
SCHEMBL8752175 0.79 L3MBTL1 (0.48) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8752167 0.77 RAB9A (0.46) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9520912 0.76 MAPT (0.49) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13694514 0.75 MAPT (0.55) MAPTRAB9AEPHX2NPC1SMN1; SMN2
SCHEMBL9520587 0.75 RAB9A (0.49) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8752169 0.73 PKM (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
Isoprothiolane SCHEMBL71267 0.72 ADRA1A (0.60) RAB9ANPC1SMN1; SMN2TSHR
Isoprothiolane SCHEMBL8408577 0.72 ADRA1A (0.60) RAB9ANPC1SMN1; SMN2TSHR

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-0366614-B1 PHARMACEUTICALLY ACTIVE DITHIOKETENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1993-09-01 EP disclosed
US-5103013-A For treating liver disorders YUHAN CORPORATION, LTD. (KR) 1992-04-07 US disclosed