SCHEMBL1808035

SCHEMBL1808035

COC(=O)c1sc2c[n+]([O-])ccc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 9/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
NCOA1 Q15788 1/20 0.38
RCE1 Q9Y256 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PRNP P04156 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
SCHEMBL30799557 0.79 LMNA (0.44) LMNAMAPK1ALDH1A1MAPTHPGD
SCHEMBL1031488 0.79 LMNA (0.71) LMNAMAPK1ALDH1A1MAPTHPGD
SCHEMBL21874545 0.75 MAPT (0.51) LMNAALDH1A1MAPTHPGDHSD17B10
SCHEMBL31490853 0.75 MAPT (0.51) LMNAALDH1A1MAPTHPGDHSD17B10
SCHEMBL15619431 0.73 BCL2L1 (0.53) LMNAMAPK1ALDH1A1MAPTHPGD
SCHEMBL17149269 0.73 LMNA (0.50) LMNAMAPK1ALDH1A1MAPTHPGD
SCHEMBL10949281 0.72 MAPK1 (0.45) LMNAMAPK1ALDH1A1MAPTHPGD
SCHEMBL4656286 0.72 CES2 (0.61) LMNAMAPK1ALDH1A1MAPTHPGD
SCHEMBL15910659 0.72 L3MBTL1 (0.58) LMNAMAPK1ALDH1A1MAPTHPGD
SCHEMBL9756981 0.72 MAPK1 (0.53) LMNAMAPK1ALDH1A1MAPTHPGD

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
WO-2011056725-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-05-12 WO disclosed