SCHEMBL9810995

SCHEMBL9810995

CCC(C(O)=S)C(CC)(C(O)=S)c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
MPI P34949 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9810997 0.91 KDM4E (0.43) CASRHPGDMAPTKMT2AMEN1
SCHEMBL9811107 0.80 L3MBTL1 (0.38) CASRHPGDMAPTKMT2AMEN1
SCHEMBL11017724 0.80 NPC1 (0.38) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11019140 0.79 SMN1; SMN2 (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9811129 0.78 L3MBTL1 (0.37) CASRHPGDMAPTKMT2AMEN1
SCHEMBL9811004 0.78 L3MBTL1 (0.37) CASRHPGDMAPTKMT2AMEN1
SCHEMBL9811143 0.78 HPGD (0.38) CASRHPGDMAPTKMT2AMEN1
SCHEMBL9811188 0.78 L3MBTL1 (0.35) CASRHPGDMAPTKMT2AMEN1
SCHEMBL28565003 0.77 CASR (0.47) CASRMAPTKMT2AMEN1GAA
SCHEMBL9811095 0.76 CASR (0.37) CASRHPGDMAPTKMT2AKDM4E

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-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
EP-0161219-A2 Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed