SCHEMBL13914094

SCHEMBL13914094

COC(=O)CSc1nc(N)c(C#N)c(-c2ccc(C(N)=O)cc2)c1C#N

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.80
▸ KDM4E B2RXH2 8/20 0.66
▸ NPSR1 Q6W5P4 5/20 0.66
▸ MAPT P10636 5/20 0.66
▸ RXFP1 Q9HBX9 3/20 0.66
▸ ADORA1 P30542 6/20 0.64
▸ HSD17B10 Q99714 4/20 0.63
▸ HPGD P15428 3/20 0.63
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ GAA P10253 1/20 0.62
▸ ADORA2B P29275 4/20 0.62
▸ ADORA3 P0DMS8 3/20 0.62
▸ ADORA2A P29274 2/20 0.62
▸ RECQL P46063 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ USP2 O75604 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL13913892 0.92 ALDH1A1 (0.80) ALDH1A1KDM4ENPSR1MAPTRXFP1
SCHEMBL13913521 0.89 ALDH1A1 (1.00) ALDH1A1KDM4ENPSR1MAPTRXFP1
SCHEMBL13914101 0.89 ALDH1A1 (0.84) ALDH1A1KDM4ENPSR1MAPTRXFP1
SCHEMBL13913704 0.89 ALDH1A1 (0.84) ALDH1A1KDM4ENPSR1MAPTRXFP1
SCHEMBL13913776 0.89 ALDH1A1 (0.84) ALDH1A1KDM4ENPSR1MAPTRXFP1
SCHEMBL13913614 0.88 ALDH1A1 (0.82) ALDH1A1KDM4ENPSR1MAPTRXFP1
SCHEMBL13913674 0.88 ALDH1A1 (0.82) ALDH1A1KDM4ENPSR1MAPTRXFP1
SCHEMBL13913859 0.85 ALDH1A1 (0.74) ALDH1A1KDM4ENPSR1MAPTRXFP1
SCHEMBL4307597 0.85 ADORA1 (0.71) ALDH1A1KDM4ENPSR1MAPTRXFP1
SCHEMBL13913808 0.85 ALDH1A1 (0.76) ALDH1A1KDM4ENPSR1MAPTRXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
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