SCHEMBL4786640

SCHEMBL4786640

COc1ccc(-c2csc(NC(=O)C=Cc3ccc4c(c3)OCO4)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.78
SMN1; SMN2 Q16637 8/20 0.78
KDM4E B2RXH2 7/20 0.78
LMNA P02545 5/20 0.78
MEN1 O00255 5/20 0.78
KMT2A Q03164 5/20 0.78
HPGD P15428 3/20 0.78
HTT P42858 2/20 0.78
RECQL P46063 1/20 0.78
RAB9A P51151 5/20 0.68
ALDH1A1 P00352 5/20 0.66
NPC1 O15118 4/20 0.66
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
POLB P06746 1/20 0.64
CDC25A P30304 1/20 0.64
CDC25B P30305 1/20 0.64
CDC25C P30307 1/20 0.64
DUSP3 P51452 1/20 0.64
PARP1 P09874 1/20 0.61

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
SCHEMBL4786629 1.00 MAPT (0.78) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL4788500 0.94 MAPT (0.69) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL4788498 0.94 MAPT (0.69) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL4788491 0.94 MAPT (0.69) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL4788085 0.88 MAPT (0.61) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL3611745 0.88 SMN1; SMN2 (0.82) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL3611749 0.88 SMN1; SMN2 (0.82) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL4788877 0.87 MAPT (0.59) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL4749881 0.86 SMN1; SMN2 (0.59) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL4787807 0.86 MAPT (0.61) MAPTSMN1; SMN2KDM4ELMNAMEN1

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