SCHEMBL13768217

SCHEMBL13768217

CSc1nc2ccccc2[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.60
▸ PLAUR Q03405 1/20 0.56
▸ RAB9A P51151 8/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ KHK P50053 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ HTT P42858 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ PYGM P11217 1/20 0.49
▸ HTR3A P46098 1/20 0.48
▸ HRH4 Q9H3N8 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL30129078 0.79 KDM4E (0.54) KDM4EPLAURRAB9ANPC1ALDH1A1
SCHEMBL28663931 0.79 KDM4E (0.54) KDM4EPLAURRAB9ANPC1ALDH1A1
SCHEMBL30868882 0.78 PLAUR (0.51) KDM4EPLAURRAB9ANPC1ALDH1A1
SCHEMBL1589916 0.76 PLAUR (0.61) KDM4EPLAURRAB9ANPC1ALDH1A1
SCHEMBL30617972 0.76 PLAUR (0.61) KDM4EPLAURRAB9ANPC1ALDH1A1
SCHEMBL29992538 0.75 KDM4E (1.00) KDM4EPLAURRAB9ANPC1ALDH1A1
SCHEMBL1905589 0.75 KDM4E (1.00) KDM4EPLAURRAB9ANPC1ALDH1A1
SCHEMBL29367169 0.73 POLB (0.65) KDM4ERAB9ANPC1ALDH1A1NPSR1
SCHEMBL374735 0.73 POLB (0.65) KDM4ERAB9ANPC1ALDH1A1NPSR1
SCHEMBL111843 0.72 POLB (0.62) KDM4ERAB9ANPC1ALDH1A1NPSR1

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-2009085879-A2 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS SCHERING CORPORATION (US) 2009-07-09 — — WO disclosed
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