SCHEMBL13258372

SCHEMBL13258372

O=c1c2[nH]ccc2nc(SCCCCO)n1-c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TGM2 P21980 1/20 0.36
PDE7A Q13946 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
PTGS2 P35354 3/20 0.34
APLNR P35414 1/20 0.34
PDE7B Q9NP56 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C19 P33261 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
SCHEMBL13258410 0.92 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1TGM2
SCHEMBL13257622 0.87 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1TGM2
SCHEMBL13258368 0.86 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1TGM2
SCHEMBL13257621 0.86 APLNR (0.48) L3MBTL1PDE7ALMNAAPLNRCYP2C19
SCHEMBL13257579 0.84 PDE7A (0.38) ALDH1A1MEN1KMT2APDE7ASMN1; SMN2
SCHEMBL13257587 0.84 PDE7A (0.53) ALDH1A1MEN1KMT2AL3MBTL1TGM2
SCHEMBL13258409 0.83 LMNA (0.37) ALDH1A1MEN1KMT2AL3MBTL1TGM2
SCHEMBL2566331 0.83 FADS1 (0.49) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL13257458 0.81 PDE7A (0.42) ALDH1A1MEN1KMT2AL3MBTL1TGM2
SCHEMBL13258405 0.80 PDE7A (0.38) ALDH1A1MEN1KMT2APDE7ASMN1; SMN2

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