SCHEMBL3565780

SCHEMBL3565780

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
POLB P06746 3/20 0.59
GAA P10253 1/20 0.59
TGFBR1 P36897 1/20 0.58
GRM1 Q13255 4/20 0.52
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
NR0B1 P51843 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL4606456 0.92 TGFBR1 (0.70) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3350983 0.92 MEN1 (0.67) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3350989 0.92 MEN1 (0.67) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4603793 0.92 MEN1 (0.58) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4604442 0.91 TGFBR1 (0.58) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4604198 0.91 TGFBR1 (0.58) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4620144 0.91 TGFBR1 (0.56) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4606194 0.91 TGFBR1 (0.58) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4604093 0.91 TGFBR1 (0.55) 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 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