SCHEMBL13257517

SCHEMBL13257517

CCS(=O)(=O)c1nc2[nH]ccc2c(=O)n1-c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
ALDH1A1 P00352 3/20 0.36
GRM1 Q13255 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KLK7 P49862 1/20 0.33
KMT2A Q03164 1/20 0.33
NUDT1 P36639 1/20 0.32
DYRK1A Q13627 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13266571 0.82 METAP2 (0.37)
SCHEMBL2560728 0.81 PIK3CD (0.46) POLB
SCHEMBL13257642 0.78 PDE7A (0.51) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL13257534 0.76 APLNR (0.49) LMNAMAPK1
SCHEMBL13257531 0.75 LMNA (0.44) LMNAMAPK1ESR1ESR2ALDH1A1
SCHEMBL13258403 0.75 ALDH1A1 (0.54) LMNAMAPK1ESR1ESR2ALDH1A1
SCHEMBL13257678 0.74 PDE11A (0.43) LMNAMAPK1ESR1ESR2MEN1
SCHEMBL13257650 0.72 LMNA (0.43) LMNAMAPK1ESR1ESR2ALDH1A1
SCHEMBL13266380 0.71 PDE10A (0.36) ALDH1A1
SCHEMBL2561841 0.71 PIK3CD (0.46) POLB

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