SCHEMBL9521789

SCHEMBL9521789

CC(C)OC(=O)C(C(=O)Nc1nncs1)=C1SCS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 3/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR2 O15552 1/20 0.39
ADRA1A P35348 1/20 0.38
PDE4D Q08499 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL8752170 0.86 ADRA1A (0.56) CTSKLMNASMN1; SMN2POLBGAA
SCHEMBL8752169 0.81 PKM (0.48) CTSKLMNASMN1; SMN2POLBFFAR2
Mivotilate SCHEMBL8752155 0.80 MAPT (0.43) SMN1; SMN2POLBGAAFFAR2RAB9A
SCHEMBL8752175 0.78 L3MBTL1 (0.48) LMNASMN1; SMN2POLBGAAKMT2A
SCHEMBL9521170 0.77 SMN1; SMN2 (0.50) LMNASMN1; SMN2GAAKMT2AADRA1A
SCHEMBL9521395 0.76 ADRA1A (0.41) LMNASMN1; SMN2POLBGAAKMT2A
SCHEMBL9521689 0.75 POLB (0.45) LMNASMN1; SMN2POLBKMT2AADRA1A
SCHEMBL9520912 0.74 MAPT (0.49) LMNASMN1; SMN2POLBKMT2ARAB9A
SCHEMBL1280159 0.74 LMNA (0.51) CTSKLMNASMN1; SMN2POLBGAA
SCHEMBL9521064 0.73 ADRA1A (0.60) SMN1; SMN2GAAADRA1APDE4DTSHR

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