SCHEMBL21589933

SCHEMBL21589933

CNc1c(C=O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 20/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL19983451 0.84 HPGD (0.67) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL24107693 0.80 HPGD (0.54) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL21589936 0.76 MAPT (0.60) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL23515735 0.74 MAPT (0.58) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL21319129 0.74 HPGD (0.54) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL15525575 0.72 HPGD (1.00) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL22939512 0.71 HPGD (0.69) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL18962635 0.70 HPGD (0.67) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL19416825 0.70 HPGD (0.72) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL15583810 0.70 HPGD (0.71) HPGDKDM4EMEN1ALDH1A1MAPT

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-2019234197-A1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS EPAC INHIBITORS AND THEIR PHARMACEUTICAL USES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2019-12-12 WO disclosed