SCHEMBL4746844

SCHEMBL4746844

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
HPGD P15428 4/20 0.61
MAPK1 P28482 2/20 0.61
TSHR P16473 2/20 0.61
USP2 O75604 1/20 0.61
CA12 O43570 5/20 0.56
CA9 Q16790 5/20 0.56
CA1 P00915 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
PHGDH O43175 5/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.52
STAT3 P40763 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL4750344 0.87 KDM4E (0.61) KDM4EHPGDMAPK1TSHRUSP2
SCHEMBL4749602 0.86 KDM4E (0.72) KDM4EHPGDMAPK1TSHRUSP2
SCHEMBL4749582 0.86 KDM4E (0.72) KDM4EHPGDMAPK1TSHRUSP2
SCHEMBL4747451 0.86 KDM4E (0.67) KDM4EHPGDMAPK1TSHRUSP2
SCHEMBL4746848 0.85 KDM4E (0.82) KDM4EHPGDMAPK1TSHRUSP2
SCHEMBL4787619 0.84 KDM4E (0.66) KDM4EHPGDMAPK1TSHRUSP2
SCHEMBL4787610 0.81 KDM4E (0.57) KDM4EHPGDMAPK1TSHRUSP2
SCHEMBL4749789 0.81 KDM4E (0.71) KDM4EHPGDMAPK1TSHRUSP2
SCHEMBL4750453 0.81 KDM4E (0.55) KDM4EHPGDMAPK1TSHRUSP2
SCHEMBL4750237 0.81 KDM4E (0.69) KDM4EHPGDMAPK1TSHRUSP2

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