SCHEMBL13257538

SCHEMBL13257538

O=c1c2cc[nH]c2nc(SCC2CC2)n1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.49
ALDH1A1 P00352 6/20 0.39
HTT P42858 4/20 0.39
TGM2 P21980 1/20 0.37
PABPC1 P11940 1/20 0.36
LMNA P02545 4/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
USP2 O75604 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL13257642 0.83 PDE7A (0.51) PDE7AALDH1A1HTTTGM2LMNA
SCHEMBL2559383 0.83 FADS1 (0.46) PDE7AALDH1A1HTTTP53TSHR
SCHEMBL13257463 0.82 ALDH1A1 (0.35) PDE7AALDH1A1HTTTGM2PABPC1
SCHEMBL13257534 0.81 APLNR (0.49) PDE7ALMNATP53MAPTTSHR
SCHEMBL13258437 0.81 PDE7A (0.40) PDE7AALDH1A1HTTTGM2LMNA
SCHEMBL13257678 0.80 PDE11A (0.43) PDE7ALMNATP53MAPTUSP2
SCHEMBL13257531 0.79 LMNA (0.44) PDE7AALDH1A1LMNA
SCHEMBL13258448 0.77 JAK1 (0.37)
SCHEMBL2566638 0.77 TSHR (0.46) PDE7AALDH1A1LMNATP53MAPT
SCHEMBL13257504 0.76 SMN1; SMN2 (0.37) ALDH1A1TGM2TP53MAPTRECQL

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