SCHEMBL4787807

SCHEMBL4787807

COc1ccc(-c2csc(NC(=O)/C=C\c3ccc4c(c3)OC(F)(F)O4)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
SMN1; SMN2 Q16637 9/20 0.61
LMNA P02545 7/20 0.61
KDM4E B2RXH2 5/20 0.61
PARP1 P09874 2/20 0.60
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
RECQL P46063 2/20 0.58
HTT P42858 2/20 0.58
HPGD P15428 1/20 0.58
GSTO1 P78417 1/20 0.57
PTGS2 P35354 1/20 0.55
RAB9A P51151 6/20 0.52
MAPK1 P28482 5/20 0.52
NPC1 O15118 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49

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
SCHEMBL4787813 1.00 MAPT (0.61) MAPTSMN1; SMN2LMNAKDM4EPARP1
SCHEMBL4787818 1.00 MAPT (0.61) MAPTSMN1; SMN2LMNAKDM4EPARP1
SCHEMBL4788498 0.86 MAPT (0.69) MAPTSMN1; SMN2LMNAKDM4EPARP1
SCHEMBL4788500 0.86 MAPT (0.69) MAPTSMN1; SMN2LMNAKDM4EPARP1
SCHEMBL4788491 0.86 MAPT (0.69) MAPTSMN1; SMN2LMNAKDM4EPARP1
SCHEMBL4786629 0.86 MAPT (0.78) MAPTSMN1; SMN2LMNAKDM4EPARP1
SCHEMBL4786640 0.86 MAPT (0.78) MAPTSMN1; SMN2LMNAKDM4EPARP1
SCHEMBL4749683 0.85 PARP1 (0.72) MAPTSMN1; SMN2LMNAKDM4EPARP1
SCHEMBL4749691 0.85 PARP1 (0.72) MAPTSMN1; SMN2LMNAKDM4EPARP1
SCHEMBL4749686 0.85 PARP1 (0.72) MAPTSMN1; SMN2LMNAKDM4EPARP1

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