SCHEMBL4750375

SCHEMBL4750375

CCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 2/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 9/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL4750374 0.86 MAPT (0.49) KDM4EMAPK1HPGDPOLBSMN1; SMN2
SCHEMBL4750033 0.84 KDM4E (0.62) KDM4EMAPK1USP2HPGDTSHR
SCHEMBL4788788 0.80 SMN1; SMN2 (0.54) KDM4EMAPK1USP2HPGDTSHR
SCHEMBL4749598 0.80 LMNA (0.66) KDM4EMAPK1USP2HPGDTSHR
SCHEMBL4749947 0.79 KDM4E (0.64) KDM4EMAPK1USP2HPGDTSHR
SCHEMBL4746914 0.79 SMN1; SMN2 (0.42) KDM4EMAPK1USP2HPGDTSHR
SCHEMBL4749926 0.77 KDM4E (0.74) KDM4EMAPK1USP2HPGDTSHR
SCHEMBL4750786 0.76 KDM4E (0.61) KDM4EMAPK1USP2HPGDTSHR
SCHEMBL17073176 0.76 ALDH1A1 (0.62) KDM4EMAPK1USP2HPGDTSHR
SCHEMBL17073149 0.73 MAPT (0.63) KDM4EMAPK1USP2HPGDTSHR

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