SCHEMBL13258409

SCHEMBL13258409

CC(C)OCCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 2/20 0.37
HTR6 P50406 1/20 0.35
PDE7A Q13946 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTBP1 P26599 1/20 0.35
HTT P42858 1/20 0.35
APLNR P35414 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
TGM2 P21980 1/20 0.33
PDE7B Q9NP56 1/20 0.33
FADS1 O60427 1/20 0.33

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
SCHEMBL13257579 0.87 PDE7A (0.38) LMNAPOLBPDE7ASMN1; SMN2HTT
SCHEMBL2568021 0.85 FADS1 (0.47) LMNAPOLBTSHRHPGDGAA
SCHEMBL2990464 0.84 TSHR (0.35) LMNAPOLBTSHRHTTGAA
SCHEMBL13258372 0.83 ALDH1A1 (0.37) LMNAPOLBPDE7AHPGDSMN1; SMN2
SCHEMBL13257621 0.83 APLNR (0.48) LMNATSHRPDE7AAPLNRL3MBTL1
SCHEMBL13258410 0.82 ALDH1A1 (0.39) LMNAPOLBPDE7AHPGDSMN1; SMN2
SCHEMBL13257622 0.82 ALDH1A1 (0.41) LMNAPOLBTSHRHTR6PDE7A
SCHEMBL13258405 0.81 PDE7A (0.38) LMNATSHRPDE7ASMN1; SMN2HTT
SCHEMBL13258368 0.81 ALDH1A1 (0.40) LMNAPOLBTSHRHTR6PDE7A
SCHEMBL13257587 0.81 PDE7A (0.53) LMNAPOLBTSHRPDE7AHPGD

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