SCHEMBL1415531

SCHEMBL1415531

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCCN(C(=O)c3cnn(C)c3Cl)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
POLB P06746 3/20 0.41
RHOA P61586 2/20 0.40
PROKR1 Q8TCW9 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CPT1A P50416 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KCNQ1 P51787 1/20 0.37
USP2 O75604 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1415879 0.85 ALDH1A1 (0.45) TYRPOLBRHOAMEN1KMT2A
SCHEMBL1415341 0.84 TYR (0.44) TYRPOLBRHOAPROKR1MEN1
SCHEMBL1415600 0.84 KDM4E (0.49) TYRPOLBRHOAMEN1KMT2A
SCHEMBL1415645 0.84 KDM4E (0.49) TYRPOLBRHOAMEN1KMT2A
SCHEMBL1415639 0.84 KDM4E (0.49) TYRPOLBRHOAMEN1KMT2A
SCHEMBL1415476 0.84 KDM4E (0.49) TYRPOLBRHOAMEN1KMT2A
SCHEMBL1415372 0.83 TYR (0.43) TYRPOLBRHOAMEN1KMT2A
SCHEMBL1415297 0.83 TYR (0.42) TYRPOLBRHOAMEN1KMT2A
SCHEMBL1415256 0.83 TYR (0.42) TYRPOLBRHOAMEN1KMT2A
SCHEMBL1415907 0.83 TYR (0.42) TYRPOLBRHOAMEN1KMT2A

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