SCHEMBL8779759

SCHEMBL8779759

COC(=O)c1sc(C(=O)O)cc1SC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PKM P14618 1/20 0.42
LIG1 P18858 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
DAO P14920 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 2/20 0.37
GPR35 Q9HC97 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL8779756 0.91 HPGD (0.45) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL12272115 0.78 MAPT (0.57) PKMMAPTKMT2ATSHRHSD17B10
SCHEMBL577651 0.78 MAPT (0.44) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL17203200 0.76 MAPT (0.42) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL12272132 0.76 DAO (0.55) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL8801741 0.76 MAPT (0.42) PKMMAPTKMT2ATSHRHSD17B10
SCHEMBL12523092 0.76 KDM4E (0.53) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL12272526 0.76 KDM4E (0.43) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL12273111 0.75 RAF1 (0.43) PKMMAPTKMT2ATSHRHSD17B10
SCHEMBL12271839 0.75 L3MBTL1 (0.42) MAPTKMT2ATSHRHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed