SCHEMBL1415375

SCHEMBL1415375

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCCCN2C(=O)c2cnccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 9/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
CCR6 P51684 1/20 0.42
CCR5 P51681 4/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CPT1A P50416 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1415659 0.88 POLB (0.50) SMN1; SMN2CCR6CCR5LMNAMAPT
SCHEMBL1415600 0.87 KDM4E (0.49) KCNQ1SMN1; SMN2CCR6CCR5LMNA
SCHEMBL1415639 0.87 KDM4E (0.49) KCNQ1SMN1; SMN2CCR6CCR5LMNA
SCHEMBL1415645 0.87 KDM4E (0.49) KCNQ1SMN1; SMN2CCR6CCR5LMNA
SCHEMBL1415476 0.87 KDM4E (0.49) KCNQ1SMN1; SMN2CCR6CCR5LMNA
SCHEMBL1415793 0.79 KDM4E (0.45) SMN1; SMN2CCR6CCR5LMNAKDM4E
SCHEMBL13198804 0.78 MAPT (0.42) KCNQ1SMN1; SMN2LMNAMAPTHTT
SCHEMBL1415875 0.77 TYR (0.43) SMN1; SMN2LMNAMAPTHTTKDM4E
SCHEMBL4501356 0.76 POLB (0.49) KCNQ1SMN1; SMN2LMNAMAPTHTT
SCHEMBL4501351 0.76 POLB (0.49) KCNQ1SMN1; SMN2LMNAMAPTHTT

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