SCHEMBL4787619

SCHEMBL4787619

CCCN(CCC)S(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccc(OCC)cc4)cs3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
MAPK1 P28482 3/20 0.66
HPGD P15428 3/20 0.66
USP2 O75604 2/20 0.66
TSHR P16473 2/20 0.66
LMNA P02545 5/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 3/20 0.62
RAB9A P51151 3/20 0.59
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.54
GLA P06280 1/20 0.54
HTT P42858 2/20 0.52
UBE2N P61088 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 3/20 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
SCHEMBL4749602 0.91 KDM4E (0.72) KDM4EMAPK1HPGDUSP2TSHR
SCHEMBL4749582 0.91 KDM4E (0.72) KDM4EMAPK1HPGDUSP2TSHR
SCHEMBL4747451 0.87 KDM4E (0.67) KDM4EMAPK1HPGDUSP2TSHR
SCHEMBL4746848 0.87 KDM4E (0.82) KDM4EMAPK1HPGDUSP2TSHR
SCHEMBL4749789 0.86 KDM4E (0.71) KDM4EMAPK1HPGDUSP2TSHR
SCHEMBL4787610 0.86 KDM4E (0.57) KDM4EMAPK1HPGDUSP2TSHR
SCHEMBL4750237 0.85 KDM4E (0.69) KDM4EMAPK1HPGDUSP2TSHR
SCHEMBL4746906 0.85 KDM4E (0.68) KDM4EMAPK1HPGDUSP2TSHR
SCHEMBL4746844 0.84 KDM4E (0.61) KDM4EMAPK1HPGDUSP2TSHR
SCHEMBL4749926 0.83 KDM4E (0.74) KDM4EMAPK1HPGDUSP2TSHR

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