SCHEMBL14140959

SCHEMBL14140959

Cc1c(NC(=O)/C=C/c2ccc(N(C)C)cc2)sc2c1CCN(C(=O)O)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 5/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
FLT3 P36888 3/20 0.40
ALOX5 P09917 1/20 0.39
TGFBR1 P36897 1/20 0.39
THRB P10828 2/20 0.38
HSD17B3 P37058 1/20 0.38

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
SCHEMBL4603577 0.87 TGFBR1 (0.55) MAPTNPC1RAB9ANPSR1LMNA
SCHEMBL13184960 0.80 MAPT (0.53) MAPTNPSR1TP53LMNATDP1
SCHEMBL13166087 0.78 L3MBTL1 (0.55) MAPTNPSR1TP53LMNATDP1
SCHEMBL3355200 0.78 L3MBTL1 (0.55) MAPTNPSR1TP53LMNATDP1
SCHEMBL4606194 0.78 TGFBR1 (0.58) MAPTNPC1RAB9ANPSR1LMNA
SCHEMBL4606456 0.75 TGFBR1 (0.70) MAPTNPC1RAB9ANPSR1LMNA
SCHEMBL3565780 0.74 MEN1 (0.59) MAPTNPC1RAB9ANPSR1LMNA
SCHEMBL4604198 0.74 TGFBR1 (0.58) MAPTNPC1RAB9ANPSR1LMNA
SCHEMBL4604442 0.74 TGFBR1 (0.58) MAPTNPC1RAB9ALMNATGFBR1
SCHEMBL4603429 0.74 MAPT (0.62) MAPTTP53FLT3TGFBR1

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 disclosed