SCHEMBL1415485

SCHEMBL1415485

CCCCc1ccc(OC)c(-c2csc(NC(=O)C3CCCN(C(=O)c4cccc[n+]4[O-])C3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.40
MEN1 O00255 9/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 7/20 0.40
POLB P06746 1/20 0.39
KCNQ1 P51787 1/20 0.39
TYR P14679 1/20 0.39
LMNA P02545 4/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
MAPK1 P28482 2/20 0.38
ACHE P22303 1/20 0.38
RHOA P61586 1/20 0.37
ALDH1A1 P00352 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 0.86 TYR (0.42) KMT2AMEN1SMN1; SMN2HTTUSP2
SCHEMBL1415907 0.86 TYR (0.42) KMT2AMEN1SMN1; SMN2HTTUSP2
SCHEMBL1415297 0.86 TYR (0.42) KMT2AMEN1SMN1; SMN2HTTUSP2
SCHEMBL1415510 0.83 POLB (0.45) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL1415285 0.83 POLB (0.45) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL4508890 0.82 KMT2A (0.47) KMT2AMEN1SMN1; SMN2HTTUSP2
SCHEMBL4508886 0.82 KMT2A (0.47) KMT2AMEN1SMN1; SMN2HTTUSP2
SCHEMBL13198966 0.74 KMT2A (0.47) KMT2AMEN1SMN1; SMN2HTTNPSR1
SCHEMBL13199010 0.74 CCR2 (0.45) KMT2AMEN1SMN1; SMN2HTTNPSR1
SCHEMBL13199021 0.74 CCR2 (0.45) KMT2AMEN1SMN1; SMN2HTTNPSR1

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