SCHEMBL1415285

SCHEMBL1415285

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCN(C(=O)c3cccc[n+]3[O-])C2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TYR P14679 1/20 0.41
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
KCNQ1 P51787 4/20 0.39
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4B Q07343 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL1415510 1.00 POLB (0.45) POLBTYRKMT2AMEN1MAPT
SCHEMBL1415256 0.96 TYR (0.42) POLBTYRKMT2AMEN1MAPT
SCHEMBL1415907 0.96 TYR (0.42) POLBTYRKMT2AMEN1MAPT
SCHEMBL1415297 0.96 TYR (0.42) POLBTYRKMT2AMEN1MAPT
SCHEMBL4501347 0.85 POLB (0.49) POLBTYRKMT2AMEN1MAPT
SCHEMBL4501356 0.85 POLB (0.49) POLBTYRKMT2AMEN1MAPT
SCHEMBL4501351 0.85 POLB (0.49) POLBTYRKMT2AMEN1MAPT
SCHEMBL1415949 0.84 POLB (0.43) POLBTYRKMT2AMEN1MAPT
SCHEMBL1415485 0.83 KMT2A (0.40) POLBTYRKMT2AMEN1MAPT
SCHEMBL1415372 0.81 TYR (0.43) POLBTYRKMT2AMEN1MAPT

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