SCHEMBL4747451

SCHEMBL4747451

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
HPGD P15428 3/20 0.67
TSHR P16473 2/20 0.67
USP2 O75604 1/20 0.67
MAPK1 P28482 1/20 0.67
CA12 O43570 5/20 0.59
CA9 Q16790 5/20 0.59
CA1 P00915 4/20 0.59
PHGDH O43175 7/20 0.57
RAB9A P51151 1/20 0.55
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
GLA P06280 1/20 0.52
MEN1 O00255 1/20 0.52
STAT3 P40763 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL4749947 0.92 KDM4E (0.64) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4746848 0.90 KDM4E (0.82) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4749602 0.89 KDM4E (0.72) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4749582 0.89 KDM4E (0.72) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4750344 0.88 KDM4E (0.61) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4787619 0.87 KDM4E (0.66) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4746844 0.86 KDM4E (0.61) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4749789 0.84 KDM4E (0.71) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4750237 0.83 KDM4E (0.69) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4749598 0.83 LMNA (0.66) KDM4EHPGDTSHRUSP2MAPK1

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