SCHEMBL3715775

SCHEMBL3715775

O=C(Nc1ccc2[nH]nnc2c1)Oc1csc(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
POLB P06746 4/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATF4 P18848 1/20 0.40
MCHR1 Q99705 8/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
CPT1A P50416 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2810198 0.89 MAPT (0.44) MAPTPOLBTP53SMN1; SMN2L3MBTL1
SCHEMBL16927719 0.87 MCHR1 (0.43) MAPTPOLBSMN1; SMN2L3MBTL1MCHR1
SCHEMBL16927741 0.80 MCHR1 (0.42) MCHR1
SCHEMBL16927755 0.78 MAPT (0.39) MAPTPOLBSMN1; SMN2MCHR1LMNA
SCHEMBL2807759 0.77 MCHR1 (0.44) MAPTPOLBSMN1; SMN2L3MBTL1MCHR1
SCHEMBL16927728 0.75 FAAH (0.34) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2809666 0.75 LMNA (0.42) MAPTTP53SMN1; SMN2L3MBTL1MCHR1
SCHEMBL2809050 0.74 ENPP2 (0.43) MAPTSMN1; SMN2L3MBTL1LMNAHPGD
SCHEMBL16938617 0.74 MAPT (0.35) MAPTPOLBTP53LMNA
SCHEMBL16927758 0.72 NFKB1 (0.40) MAPTHPGDRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
EP-2209777-A2 THIAZOL DERIVATIVES FOR TREATING CANCER Merck Patent GmbH (DE) 2010-07-28 EP claimed
WO-2009046842-A2 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2009-04-16 WO claimed
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP disclosed