SCHEMBL4749908

SCHEMBL4749908

CCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.67
RAB9A P51151 2/20 0.67
ADORA3 P0DMS8 1/20 0.59
MAPK1 P28482 5/20 0.59
TSHR P16473 2/20 0.59
HPGD P15428 2/20 0.59
USP2 O75604 1/20 0.59
MAPT P10636 8/20 0.58
LMNA P02545 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
ALDH1A1 P00352 5/20 0.58
HTT P42858 2/20 0.58
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
NPSR1 Q6W5P4 2/20 0.56
RXFP1 Q9HBX9 1/20 0.54
PHGDH O43175 2/20 0.52
AVPR1B P47901 1/20 0.51
F2 P00734 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL4747466 0.99 KDM4E (0.66) KDM4ERAB9AADORA3MAPK1TSHR
SCHEMBL4750237 0.93 KDM4E (0.69) KDM4ERAB9AADORA3MAPK1TSHR
SCHEMBL4746906 0.92 KDM4E (0.68) KDM4ERAB9AADORA3MAPK1TSHR
SCHEMBL4749789 0.90 KDM4E (0.71) KDM4ERAB9AADORA3MAPK1TSHR
SCHEMBL4749602 0.87 KDM4E (0.72) KDM4ERAB9AADORA3MAPK1TSHR
SCHEMBL4749582 0.87 KDM4E (0.72) KDM4ERAB9AADORA3MAPK1TSHR
SCHEMBL4749926 0.85 KDM4E (0.74) KDM4ERAB9AADORA3MAPK1TSHR
SCHEMBL14042335 0.82 KDM4E (0.59) KDM4ERAB9AADORA3MAPK1TSHR
SCHEMBL14042107 0.82 ADORA3 (0.66) KDM4ERAB9AADORA3MAPK1TSHR
SCHEMBL4747464 0.81 KDM4E (0.65) KDM4ERAB9AADORA3MAPK1TSHR

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 3 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
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO disclosed