SCHEMBL1415949

SCHEMBL1415949

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCCN(C(=O)c3ccc[n+]([O-])c3)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
RHOA P61586 3/20 0.42
TYR P14679 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 5/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
CSF1R P07333 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDE4B Q07343 1/20 0.38
KCNQ1 P51787 2/20 0.38
LMNA P02545 4/20 0.38
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 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
SCHEMBL1415256 0.87 TYR (0.42) POLBRHOATYRKDM4EMAPT
SCHEMBL1415297 0.87 TYR (0.42) POLBRHOATYRKDM4EMAPT
SCHEMBL1415907 0.87 TYR (0.42) POLBRHOATYRKDM4EMAPT
SCHEMBL1415510 0.84 POLB (0.45) POLBTYRKDM4EMAPTMAPK1
SCHEMBL1415285 0.84 POLB (0.45) POLBTYRKDM4EMAPTMAPK1
SCHEMBL1415206 0.83 REV1 (0.50) POLBTYRKDM4EMAPTMEN1
SCHEMBL1415341 0.82 TYR (0.44) POLBRHOATYRKDM4EMAPT
SCHEMBL1415476 0.81 KDM4E (0.49) POLBRHOATYRKDM4EMAPT
SCHEMBL1415639 0.81 KDM4E (0.49) POLBRHOATYRKDM4EMAPT
SCHEMBL1415600 0.81 KDM4E (0.49) POLBRHOATYRKDM4EMAPT

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