SCHEMBL4750786

SCHEMBL4750786

CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.61
HPGD P15428 2/20 0.61
TSHR P16473 2/20 0.61
USP2 O75604 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 3/20 0.59
GLA P06280 1/20 0.59
ATM Q13315 1/20 0.58
ALDH1A1 P00352 5/20 0.56
RAB9A P51151 1/20 0.54
PHGDH O43175 5/20 0.53
GAA P10253 2/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 1/20 0.52
CASP1 P29466 1/20 0.52
STAT3 P40763 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
SCHEMBL4749598 0.88 LMNA (0.66) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4749947 0.87 KDM4E (0.64) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4749926 0.85 KDM4E (0.74) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4750033 0.85 KDM4E (0.62) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL5731231 0.81 KDM4E (0.69) KDM4EMAPK1KMT2AMEN1MAPT
SCHEMBL12248866 0.81 KDM4E (0.69) KDM4EMAPK1KMT2AMEN1MAPT
SCHEMBL17073176 0.80 ALDH1A1 (0.62) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL12249036 0.80 KDM4E (0.70) KDM4EMAPK1KMT2AMEN1MAPT
SCHEMBL4747451 0.80 KDM4E (0.67) KDM4EHPGDTSHRUSP2MAPK1
SCHEMBL4746848 0.79 KDM4E (0.82) 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