SCHEMBL4749602

SCHEMBL4749602

CCCN(CCC)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.72
RAB9A P51151 2/20 0.72
MAPK1 P28482 4/20 0.70
TSHR P16473 2/20 0.70
USP2 O75604 1/20 0.70
HPGD P15428 1/20 0.70
ADORA3 P0DMS8 1/20 0.63
SMN1; SMN2 Q16637 7/20 0.61
LMNA P02545 7/20 0.61
MAPT P10636 5/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 3/20 0.61
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA9 Q16790 1/20 0.57
NPSR1 Q6W5P4 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
AVPR1B P47901 1/20 0.54

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 1.00 KDM4E (0.72) KDM4ERAB9AMAPK1TSHRUSP2
SCHEMBL4749789 0.95 KDM4E (0.71) KDM4ERAB9AMAPK1TSHRUSP2
SCHEMBL4750237 0.94 KDM4E (0.69) KDM4ERAB9AMAPK1TSHRUSP2
SCHEMBL4746906 0.94 KDM4E (0.68) KDM4ERAB9AMAPK1TSHRUSP2
SCHEMBL4749926 0.92 KDM4E (0.74) KDM4ERAB9AMAPK1TSHRUSP2
SCHEMBL4787619 0.91 KDM4E (0.66) KDM4ERAB9AMAPK1TSHRUSP2
SCHEMBL4747451 0.89 KDM4E (0.67) KDM4ERAB9AMAPK1TSHRUSP2
SCHEMBL4746848 0.88 KDM4E (0.82) KDM4ERAB9AMAPK1TSHRUSP2
SCHEMBL14042098 0.87 LMNA (0.61) KDM4ERAB9AMAPK1TSHRUSP2
SCHEMBL4749908 0.87 KDM4E (0.67) KDM4ERAB9AMAPK1TSHRUSP2

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