SCHEMBL4606164

SCHEMBL4606164

N#Cc1c(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)sc2c1CCN(C(=O)O)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
POLB P06746 3/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.48
MITF O75030 1/20 0.48
CASP6 P55212 1/20 0.48
PAX8 Q06710 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TGFBR1 P36897 1/20 0.47
HPGD P15428 2/20 0.45
GRM1 Q13255 2/20 0.44
TRPV1 Q8NER1 3/20 0.44
KDM4E B2RXH2 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
SCHEMBL4603939 0.90 TGFBR1 (0.55) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL13166090 0.90 MEN1 (0.53) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL3352577 0.90 MEN1 (0.53) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4604093 0.87 TGFBR1 (0.55) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL3565780 0.87 MEN1 (0.59) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4603267 0.86 GRM1 (0.54) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4603315 0.86 GRM1 (0.54) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4604542 0.86 MEN1 (0.54) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4604313 0.84 MEN1 (0.63) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4606456 0.82 TGFBR1 (0.70) 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