SCHEMBL1415341

SCHEMBL1415341

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCCN(C(=O)c3cccnc3O)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ADORA3 P0DMS8 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 5/20 0.39
SCN9A Q15858 1/20 0.39
MAPK1 P28482 1/20 0.39
RHOA P61586 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PROKR1 Q8TCW9 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
SCHEMBL1415645 0.85 KDM4E (0.49) TYRALDH1A1L3MBTL1ADORA3RAB9A
SCHEMBL1415600 0.85 KDM4E (0.49) TYRALDH1A1L3MBTL1ADORA3RAB9A
SCHEMBL1415639 0.85 KDM4E (0.49) TYRALDH1A1L3MBTL1ADORA3RAB9A
SCHEMBL1415476 0.85 KDM4E (0.49) TYRALDH1A1L3MBTL1ADORA3RAB9A
SCHEMBL1415875 0.85 TYR (0.43) TYRALDH1A1L3MBTL1ADORA3RAB9A
SCHEMBL1415372 0.85 TYR (0.43) TYRALDH1A1L3MBTL1ADORA3RAB9A
SCHEMBL1415531 0.84 TYR (0.42) TYRALDH1A1POLBMEN1KMT2A
SCHEMBL1415206 0.84 REV1 (0.50) TYRALDH1A1RAB9APOLBMEN1
SCHEMBL1415414 0.84 ALDH1A1 (0.45) TYRALDH1A1L3MBTL1ADORA3RAB9A
SCHEMBL1415297 0.83 TYR (0.42) TYRALDH1A1L3MBTL1ADORA3RAB9A

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