SCHEMBL4602979

SCHEMBL4602979

N#Cc1c(NC(=O)C=Cc2ccccc2)sc2c1CCN(C(=O)CCC(=O)O)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
TGFBR1 P36897 1/20 0.53
MAPK10 P53779 2/20 0.51
MAPK9 P45984 1/20 0.51
GRM1 Q13255 8/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
NR0B1 P51843 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL4605130 0.95 MEN1 (0.55) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4619349 0.93 MEN1 (0.58) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3357550 0.92 MEN1 (0.56) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3357555 0.92 MEN1 (0.56) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3357612 0.91 MEN1 (0.55) MEN1KMT2APOLBGAATGFBR1
SCHEMBL13166294 0.91 MEN1 (0.55) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3353588 0.91 MEN1 (0.55) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3353582 0.91 MEN1 (0.55) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3351679 0.91 MEN1 (0.58) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3351673 0.91 MEN1 (0.58) MEN1KMT2APOLBGAATGFBR1

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