SCHEMBL1415256

SCHEMBL1415256

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)[C@H]2CCCN(C(=O)c3cccc[n+]3[O-])C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNQ1 P51787 2/20 0.39
RHOA P61586 1/20 0.39
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL1415907 1.00 TYR (0.42) TYRPOLBKMT2AMEN1MAPT
SCHEMBL1415297 1.00 TYR (0.42) TYRPOLBKMT2AMEN1MAPT
SCHEMBL1415285 0.96 POLB (0.45) TYRPOLBKMT2AMEN1MAPT
SCHEMBL1415510 0.96 POLB (0.45) TYRPOLBKMT2AMEN1MAPT
SCHEMBL1415949 0.87 POLB (0.43) TYRPOLBKMT2AMEN1MAPT
SCHEMBL1415485 0.86 KMT2A (0.40) TYRPOLBKMT2AMEN1MAPT
SCHEMBL1415372 0.85 TYR (0.43) TYRPOLBKMT2AMEN1MAPT
SCHEMBL1415206 0.84 REV1 (0.50) TYRPOLBKMT2AMEN1MAPT
SCHEMBL1415879 0.83 ALDH1A1 (0.45) TYRPOLBKMT2AMEN1MAPT
SCHEMBL1415341 0.83 TYR (0.44) TYRPOLBKMT2AMEN1MAPT

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-1807421-B1 2-AMIDO-4-PHENYLTHIAZOLE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2011-03-16 EP claimed