SCHEMBL1415879

SCHEMBL1415879

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCCN(C(=O)c3cc(C)n(C)n3)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
TYR P14679 1/20 0.43
POLB P06746 1/20 0.42
PDE2A O00408 1/20 0.41
LMNA P02545 2/20 0.40
GFER P55789 1/20 0.40
RHOA P61586 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL1415645 0.86 KDM4E (0.49) ALDH1A1KDM4ETYRPOLBLMNA
SCHEMBL1415476 0.86 KDM4E (0.49) ALDH1A1KDM4ETYRPOLBLMNA
SCHEMBL1415600 0.86 KDM4E (0.49) ALDH1A1KDM4ETYRPOLBLMNA
SCHEMBL1415639 0.86 KDM4E (0.49) ALDH1A1KDM4ETYRPOLBLMNA
SCHEMBL1415875 0.85 TYR (0.43) ALDH1A1KDM4ETYRPOLBLMNA
SCHEMBL1415531 0.85 TYR (0.42) ALDH1A1KDM4ETYRPOLBLMNA
SCHEMBL1415372 0.84 TYR (0.43) ALDH1A1KDM4ETYRPOLBLMNA
SCHEMBL1415297 0.83 TYR (0.42) ALDH1A1KDM4ETYRPOLBLMNA
SCHEMBL1415256 0.83 TYR (0.42) ALDH1A1KDM4ETYRPOLBLMNA
SCHEMBL1415907 0.83 TYR (0.42) ALDH1A1KDM4ETYRPOLBLMNA

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