SCHEMBL4603432

SCHEMBL4603432

COc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CCN(C(=O)O)C3)c(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TGFBR1 P36897 3/20 0.56
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 4/20 0.47
GAA P10253 1/20 0.47
STAT3 P40763 2/20 0.45
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NR0B1 P51843 1/20 0.42
GRM5 P41594 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL4603728 0.93 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1
SCHEMBL3572132 0.90 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1
SCHEMBL13166091 0.90 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1
SCHEMBL4603914 0.88 TGFBR1 (0.58) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1
SCHEMBL4605117 0.88 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1
SCHEMBL4617947 0.88 TGFBR1 (0.74) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1
SCHEMBL4620251 0.87 TGFBR1 (0.61) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1
SCHEMBL4603323 0.85 MEN1 (0.54) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1
SCHEMBL4603144 0.84 TGFBR1 (0.59) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1
SCHEMBL13166079 0.83 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2TGFBR1MEN1

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