SCHEMBL4603172

SCHEMBL4603172

N#Cc1c(NC(=O)C=Cc2c(Cl)cccc2Cl)sc2c1CCN(C(=O)O)C2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
POLB P06746 3/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
NR0B1 P51843 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TGFBR1 P36897 1/20 0.48
GRM1 Q13255 6/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK10 P53779 2/20 0.45

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
SCHEMBL4605108 0.94 MEN1 (0.52) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4618589 0.90 MEN1 (0.57) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4604563 0.89 MEN1 (0.54) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4605345 0.89 MEN1 (0.52) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL3351853 0.88 MEN1 (0.59) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL13166143 0.88 MEN1 (0.59) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL3565780 0.87 MEN1 (0.59) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4604542 0.86 MEN1 (0.54) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4605159 0.86 MEN1 (0.51) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4603323 0.86 MEN1 (0.54) 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