SCHEMBL4750033

SCHEMBL4750033

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
USP2 O75604 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
MAPT P10636 6/20 0.60
RAB9A P51151 4/20 0.60
LMNA P02545 2/20 0.60
GLA P06280 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GFER P55789 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
POLB P06746 2/20 0.56
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
PHGDH O43175 2/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.53

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 0.89 LMNA (0.66) KDM4EUSP2HPGDTSHRMAPK1
SCHEMBL4749947 0.88 KDM4E (0.64) KDM4EUSP2HPGDTSHRMAPK1
SCHEMBL4749926 0.86 KDM4E (0.74) KDM4EUSP2HPGDTSHRMAPK1
SCHEMBL4750786 0.85 KDM4E (0.61) KDM4EUSP2HPGDTSHRMAPK1
SCHEMBL4750375 0.84 KDM4E (0.51) KDM4EUSP2HPGDTSHRMAPK1
SCHEMBL17073176 0.81 ALDH1A1 (0.62) KDM4EUSP2HPGDTSHRMAPK1
SCHEMBL4747451 0.80 KDM4E (0.67) KDM4EUSP2HPGDTSHRMAPK1
SCHEMBL4746848 0.80 KDM4E (0.82) KDM4EUSP2HPGDTSHRMAPK1
SCHEMBL17073178 0.79 LMNA (0.64) KDM4EUSP2HPGDTSHRMAPK1
SCHEMBL4749582 0.79 KDM4E (0.72) KDM4EUSP2HPGDTSHRMAPK1

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