SCHEMBL3570055

SCHEMBL3570055

N#Cc1c(NC(=O)C=Cc2cccnc2)sc2c1CCN(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 3/20 0.51
GAA P10253 2/20 0.51
TGFBR1 P36897 1/20 0.50
GRM1 Q13255 3/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
STAT3 P40763 5/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
NR0B1 P51843 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
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
SCHEMBL4603733 0.93 MEN1 (0.50) MEN1KMT2APOLBGAATGFBR1
SCHEMBL13166105 0.91 STAT3 (0.51) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3354670 0.91 STAT3 (0.51) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3353217 0.90 MEN1 (0.49) MEN1KMT2APOLBGAATGFBR1
SCHEMBL13166318 0.90 MEN1 (0.49) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3565780 0.90 MEN1 (0.59) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3351584 0.89 MEN1 (0.49) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4604556 0.89 MEN1 (0.49) MEN1KMT2APOLBGAATGFBR1
SCHEMBL13166108 0.89 MEN1 (0.49) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3352760 0.89 MEN1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP claimed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed