SCHEMBL1415372

SCHEMBL1415372

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCCN(C(=O)c3nccn3C)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
RHOA P61586 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 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
SCHEMBL1415600 0.86 KDM4E (0.49) TYRPOLBRAB9AALDH1A1ADORA3
SCHEMBL1415476 0.86 KDM4E (0.49) TYRPOLBRAB9AALDH1A1ADORA3
SCHEMBL1415645 0.86 KDM4E (0.49) TYRPOLBRAB9AALDH1A1ADORA3
SCHEMBL1415639 0.86 KDM4E (0.49) TYRPOLBRAB9AALDH1A1ADORA3
SCHEMBL1415875 0.85 TYR (0.43) TYRPOLBRAB9AALDH1A1ADORA3
SCHEMBL1415907 0.85 TYR (0.42) TYRPOLBRAB9AALDH1A1ADORA3
SCHEMBL1415256 0.85 TYR (0.42) TYRPOLBRAB9AALDH1A1ADORA3
SCHEMBL1415297 0.85 TYR (0.42) TYRPOLBRAB9AALDH1A1ADORA3
SCHEMBL1415341 0.85 TYR (0.44) TYRPOLBRAB9AALDH1A1ADORA3
SCHEMBL1415879 0.84 ALDH1A1 (0.45) TYRPOLBALDH1A1MAPTHTT

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