SCHEMBL4605090

SCHEMBL4605090

N#Cc1ccccc1C=CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)O)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
POLB P06746 3/20 0.58
GAA P10253 1/20 0.58
GRM1 Q13255 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NR0B1 P51843 1/20 0.49
TGFBR1 P36897 3/20 0.49
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CRHBP P24387 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
SCHEMBL4604600 0.93 MEN1 (0.56) MEN1KMT2APOLBGAAGRM1
SCHEMBL4618589 0.92 MEN1 (0.57) MEN1KMT2APOLBGAAGRM1
SCHEMBL4605559 0.92 MEN1 (0.55) MEN1KMT2APOLBGAAGRM1
SCHEMBL4606103 0.92 MEN1 (0.55) MEN1KMT2APOLBGAAGRM1
SCHEMBL4605032 0.92 MEN1 (0.55) MEN1KMT2APOLBGAAGRM1
SCHEMBL14141064 0.92 MEN1 (0.55) MEN1KMT2APOLBGAAGRM1
SCHEMBL4606680 0.91 MEN1 (0.54) MEN1KMT2APOLBGAAGRM1
SCHEMBL3565780 0.90 MEN1 (0.59) MEN1KMT2APOLBGAAGRM1
SCHEMBL4607475 0.90 MEN1 (0.56) MEN1KMT2APOLBGAAGRM1
SCHEMBL4605197 0.89 MEN1 (0.53) MEN1KMT2APOLBGAAGRM1

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
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP claimed