SCHEMBL13914580

SCHEMBL13914580

N#Cc1c(N)nc(SCC(=O)C2CC2)c(C#N)c1-c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ PPARG P37231 2/20 0.69
▸ NCOA2 Q15596 2/20 0.69
▸ NCOA1 Q15788 2/20 0.69
▸ NCOA3 Q9Y6Q9 2/20 0.69
▸ ALDH1A1 P00352 7/20 0.67
▸ KDM4E B2RXH2 6/20 0.67
▸ HPGD P15428 4/20 0.67
▸ RXFP1 Q9HBX9 2/20 0.67
▸ RECQL P46063 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ ADORA2B P29275 6/20 0.60
▸ HTR1B P28222 1/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ FFAR4 Q5NUL3 1/20 0.60
▸ SIGMAR1 Q99720 1/20 0.60
▸ ELAVL1 Q15717 1/20 0.59
▸ ABL1 P00519 1/20 0.58

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
SCHEMBL13914765 0.90 ALDH1A1 (0.68) NPSR1MEN1KMT2APPARGNCOA2
SCHEMBL13914528 0.90 ADORA1 (0.63) NPSR1MEN1KMT2APPARGNCOA2
SCHEMBL13914646 0.88 ALDH1A1 (0.71) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL13914458 0.88 RET (0.58) NPSR1MEN1KMT2APPARGNCOA2
SCHEMBL13913699 0.85 ADORA1 (0.72) NPSR1MEN1KMT2APPARGNCOA2
SCHEMBL13914820 0.84 KDM4E (0.65) NPSR1MEN1KMT2APPARGNCOA2
SCHEMBL13914694 0.83 ADORA1 (0.78) NPSR1MEN1KMT2APPARGNCOA2
SCHEMBL13914571 0.83 ALDH1A1 (0.65) NPSR1MEN1KMT2APPARGNCOA2
SCHEMBL13913707 0.81 ALDH1A1 (0.66) NPSR1MEN1KMT2APPARGNCOA2
SCHEMBL13913704 0.81 ALDH1A1 (0.84) NPSR1MEN1KMT2APPARGNCOA2

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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