SCHEMBL4622148

SCHEMBL4622148

N#Cc1c(NC(=O)C=Cc2ccccc2OC(F)F)sc2c1CCN(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
GRM1 Q13255 3/20 0.46
TGFBR1 P36897 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR0B1 P51843 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
STAT3 P40763 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4603556 0.92 MEN1 (0.51) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL13166360 0.90 MEN1 (0.53) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL3577161 0.90 MEN1 (0.53) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4603914 0.89 TGFBR1 (0.58) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4618737 0.89 MEN1 (0.51) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4617172 0.88 MEN1 (0.52) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4604958 0.88 MEN1 (0.53) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4605090 0.87 MEN1 (0.58) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4605916 0.87 MEN1 (0.53) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL3569959 0.87 MEN1 (0.53) MEN1KMT2APOLBGAAALDH1A1

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