SCHEMBL4749875

SCHEMBL4749875

CCCN(CCC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3cccc(OC)c3)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 2/20 0.51
CYP3A4 P08684 7/20 0.50
ROCK1 Q13464 5/20 0.50
PRKACA P17612 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL4747401 0.90 MAPT (0.67) MAPTMAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4746954 0.89 ABL1 (0.52) MAPTMAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4750359 0.85 KMT2A (0.60) MAPTMAPK1RAB9ASMN1; SMN2HTT
SCHEMBL4750943 0.84 MAPK1 (0.63) MAPTMAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4750765 0.83 KMT2A (0.56) MAPTMAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4786428 0.81 RAB9A (0.67) MAPTRAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL4750837 0.81 MAPK1 (0.49) MAPTMAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4746879 0.79 SMN1; SMN2 (0.46) MAPTMAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4747425 0.79 SLC2A1 (0.44) MAPTMAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4746882 0.78 SMN1; SMN2 (0.47) MAPTMAPK1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO claimed
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO disclosed