SCHEMBL4749596

SCHEMBL4749596

CCCN(CCC)S(=O)(=O)c1ccccc1-c1csc(NC(=O)c2ccc(OC)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.58
KDM4E B2RXH2 8/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
MAPK1 P28482 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 5/20 0.54
TSHR P16473 2/20 0.54
F2 P00734 1/20 0.54
RAB9A P51151 3/20 0.54
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.47
AVPR1B P47901 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4A O75164 1/20 0.46

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
SCHEMBL4749582 0.83 KDM4E (0.72) ADORA3KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL4749602 0.83 KDM4E (0.72) ADORA3KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL14042098 0.82 LMNA (0.61) KDM4EMAPTSMN1; SMN2MAPK1MEN1
SCHEMBL4749789 0.79 KDM4E (0.71) ADORA3KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL4750237 0.78 KDM4E (0.69) ADORA3KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL2753997 0.78 KMT2A (0.73) ADORA3KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL4746906 0.78 KDM4E (0.68) ADORA3KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL24107726 0.77 ADORA3 (0.71) ADORA3KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL24107602 0.77 ADORA3 (0.71) ADORA3KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL4787610 0.77 KDM4E (0.57) KDM4EMAPTSMN1; SMN2MAPK1MEN1

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 1 patent. 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 disclosed