SCHEMBL4749669

SCHEMBL4749669

C=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KDM4E B2RXH2 5/20 0.58
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
PARP1 P09874 2/20 0.56
MAPK1 P28482 4/20 0.53
GSTO1 P78417 5/20 0.52
PTGS2 P35354 1/20 0.51
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
MEN1 O00255 4/20 0.46
HTT P42858 3/20 0.46
RECQL P46063 1/20 0.46
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CDC25C P30307 1/20 0.45

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
SCHEMBL4749670 1.00 MAPT (0.58) MAPTKDM4ELMNASMN1; SMN2PARP1
SCHEMBL4749668 1.00 MAPT (0.58) MAPTKDM4ELMNASMN1; SMN2PARP1
SCHEMBL4749941 0.90 GSTO1 (0.66) MAPTKDM4ELMNASMN1; SMN2PARP1
SCHEMBL4749949 0.90 GSTO1 (0.66) MAPTKDM4ELMNASMN1; SMN2PARP1
SCHEMBL4749945 0.90 GSTO1 (0.66) MAPTKDM4ELMNASMN1; SMN2PARP1
SCHEMBL4746832 0.90 MAPT (0.67) MAPTKDM4ELMNASMN1; SMN2PARP1
SCHEMBL4746833 0.90 MAPT (0.67) MAPTKDM4ELMNASMN1; SMN2PARP1
SCHEMBL4746834 0.90 MAPT (0.67) MAPTKDM4ELMNASMN1; SMN2PARP1
SCHEMBL4750289 0.87 RAB9A (0.53) MAPTKDM4ELMNASMN1; SMN2PARP1
SCHEMBL4750380 0.86 MAPT (0.58) MAPTKDM4ELMNASMN1; SMN2PARP1

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