SCHEMBL13257579

SCHEMBL13257579

CCOCCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.38
APLNR P35414 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PNP P00491 1/20 0.35
TNF P01375 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 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
SCHEMBL13258405 0.92 PDE7A (0.38) PDE7AAPLNRALDH1A1HTTLMNA
SCHEMBL13258409 0.87 LMNA (0.37) PDE7AAPLNRALDH1A1HTTLMNA
SCHEMBL13257621 0.86 APLNR (0.48) PDE7AAPLNRLMNAMAPTMAPK1
SCHEMBL13258372 0.84 ALDH1A1 (0.37) PDE7AAPLNRALDH1A1HTTLMNA
SCHEMBL2566441 0.84 FADS1 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2997987 0.84 TSHR (0.40) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL13257587 0.84 PDE7A (0.53) PDE7AALDH1A1HTTLMNAMAPT
SCHEMBL13258410 0.83 ALDH1A1 (0.39) PDE7AAPLNRALDH1A1HTTLMNA
SCHEMBL13257499 0.82 HSP90AA1 (0.35) PDE7AHSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL13257622 0.81 ALDH1A1 (0.41) PDE7AALDH1A1HTTLMNASMN1; 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