SCHEMBL14514239

SCHEMBL14514239

CCc1c(C)sc(N)c1CC#N

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
FHIT P49789 1/20 0.30

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
SCHEMBL1720717 0.74 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4175069 0.74 KDM4E (0.33) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL22271633 0.70 FHIT (0.35) ALDH1A1MAPTHPGDHSD17B10FHIT
SCHEMBL28428029 0.70 FHIT (0.35) ALDH1A1MAPTKDM4EHPGDFHIT
SCHEMBL12709131 0.69 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL953974 0.69 MAPT (0.32) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL17452191 0.68 CYP1A2 (0.34) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2890316 0.65
SCHEMBL21605471 0.64 L3MBTL1 (0.57) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20936366 0.63 FHIT (0.34) ALDH1A1KDM4EFHIT

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
US-7214805-B2 Process for the industrial synthesis of strontium ranelate and its hydrates LES LABORATOIRES SERVIER (FR) 2007-05-08 US disclosed