SCHEMBL1415600

SCHEMBL1415600

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3cnccn3)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
TYR P14679 1/20 0.43
POLB P06746 1/20 0.42
CCR5 P51681 4/20 0.41
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNQ1 P51787 1/20 0.39
TP53BP1 Q12888 1/20 0.39

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
SCHEMBL1415476 1.00 KDM4E (0.49) KDM4ETYRPOLBCCR5CCR6
SCHEMBL1415639 1.00 KDM4E (0.49) KDM4ETYRPOLBCCR5CCR6
SCHEMBL1415645 1.00 KDM4E (0.49) KDM4ETYRPOLBCCR5CCR6
SCHEMBL1415793 0.93 KDM4E (0.45) KDM4ETYRCCR5CCR6SMN1; SMN2
SCHEMBL1415659 0.93 POLB (0.50) KDM4ETYRPOLBCCR5CCR6
SCHEMBL1415875 0.91 TYR (0.43) KDM4ETYRPOLBSMN1; SMN2STK17B
SCHEMBL1415375 0.87 KCNQ1 (0.49) KDM4EPOLBCCR5CCR6SMN1; SMN2
SCHEMBL1415372 0.86 TYR (0.43) KDM4ETYRPOLBSMN1; SMN2STK17B
SCHEMBL1415879 0.86 ALDH1A1 (0.45) KDM4ETYRPOLBSMN1; SMN2ALDH1A1
SCHEMBL1415341 0.85 TYR (0.44) KDM4ETYRPOLBSMN1; SMN2ALDH1A1

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