SCHEMBL7094417

SCHEMBL7094417

CCN(CC)C(=O)Cc1cscn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRD1 P41143 3/20 0.38
KCNH2 Q12809 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MAP3K5 Q99683 1/20 0.38
SLC6A3 Q01959 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD11B1 P28845 1/20 0.36
HSD17B2 P37059 1/20 0.36
AGTR2 P50052 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL5693351 0.85 MAPK1 (0.43) MAPK1NPSR1PKMLMNAGAA
SCHEMBL7982432 0.78 AGTR2 (0.43) MAPK1NPSR1PKMLMNAGAA
SCHEMBL20899886 0.78 MAPK1 (0.47) MAPK1NPSR1PKMLMNAGAA
SCHEMBL7275089 0.74 MAPK1 (0.41) MAPK1NPSR1PKMLMNAGAA
SCHEMBL20899861 0.73 POLQ (0.46) MAPK1NPSR1PKMLMNAGAA
SCHEMBL20899785 0.72 MAPK1 (0.44) MAPK1NPSR1PKMLMNAGAA
SCHEMBL24554380 0.72
SCHEMBL12424206 0.71 ALDH1A1 (0.50) MAPK1ALDH1A1SMN1; SMN2OPRD1KCNH2
SCHEMBL23118696 0.71 MAPK1 (0.47) MAPK1NPSR1PKMLMNAGAA
SCHEMBL10305113 0.71 NR1H2 (0.40) MAPK1NPSR1PKMLMNAGAA

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-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO disclosed