SCHEMBL13257534

SCHEMBL13257534

CCCSc1nc2[nH]ccc2c(=O)n1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 8/20 0.49
PDE11A Q9HCR9 2/20 0.43
PDE7A Q13946 2/20 0.43
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL13257678 0.93 PDE11A (0.43) APLNRPDE11APDE7AMAPTTP53
SCHEMBL13257642 0.90 PDE7A (0.51) PDE7ATSHRMAPTTP53LMNA
SCHEMBL13257600 0.86 MAPT (0.37) APLNRPDE7ATSHRMAPTTP53
SCHEMBL13257531 0.84 LMNA (0.44) PDE7ALMNAMAPK1CYP2C19
SCHEMBL13257621 0.82 APLNR (0.48) APLNRPDE11APDE7ATSHRMAPT
SCHEMBL13258437 0.82 PDE7A (0.40) PDE7AMAPTTP53LMNAUSP2
SCHEMBL13257504 0.82 SMN1; SMN2 (0.37) APLNRMAPTTP53MAPK1USP2
SCHEMBL2565059 0.82 FADS1 (0.54) APLNRPDE11APDE7ATSHRMAPT
SCHEMBL13257538 0.81 PDE7A (0.49) PDE7ATSHRMAPTTP53LMNA
SCHEMBL13257463 0.77 ALDH1A1 (0.35) PDE7ATP53LMNA

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-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed