SCHEMBL4787610

SCHEMBL4787610

CCCN(CCC)S(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccccc4OCC)cs3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
HPGD P15428 4/20 0.57
TSHR P16473 2/20 0.57
USP2 O75604 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
GLA P06280 1/20 0.53
ALDH1A1 P00352 4/20 0.53
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
CA1 P00915 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
KDM4A O75164 1/20 0.50
KDM4B O94953 1/20 0.50
KDM5C P41229 1/20 0.50
KDM5B Q9UGL1 1/20 0.50

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
SCHEMBL4787619 0.86 KDM4E (0.66) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4746844 0.81 KDM4E (0.61) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL14042098 0.81 LMNA (0.61) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4749602 0.81 KDM4E (0.72) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4749582 0.81 KDM4E (0.72) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4747451 0.80 KDM4E (0.67) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4746848 0.80 KDM4E (0.82) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL24090312 0.78 NFKB1 (0.64) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4750344 0.78 KDM4E (0.61) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4749596 0.77 ADORA3 (0.58) 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