SCHEMBL4786702

SCHEMBL4786702

O=C1COc2ccc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N5CCCCC5)cc4)n3)cc2N1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.72
LMNA P02545 11/20 0.72
MAPT P10636 10/20 0.72
MEN1 O00255 8/20 0.72
KMT2A Q03164 8/20 0.72
KDM4E B2RXH2 8/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
HSD17B10 Q99714 6/20 0.72
TSHR P16473 3/20 0.72
HPGD P15428 5/20 0.63
GAA P10253 3/20 0.63
PPARG P37231 2/20 0.63
NCOA2 Q15596 2/20 0.63
NCOA1 Q15788 2/20 0.63
NCOA3 Q9Y6Q9 2/20 0.63
ALOX15 P16050 2/20 0.57
ALOX12 P18054 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL4749664 0.79 LMNA (0.67) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL17073218 0.78 ALDH1A1 (1.00) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL31162680 0.77 LMNA (0.90) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL3607443 0.75 ALDH1A1 (0.68) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL532616 0.74 GAA (0.64) LMNAMAPTMEN1KMT2AGAA
SCHEMBL532240 0.72 GAA (0.65) LMNAMAPTMEN1KMT2AGAA
SCHEMBL24090298 0.72 NFKB1 (0.72) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL22076816 0.72 NPC1 (1.00) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL24090252 0.72 NFKB1 (1.00) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL17073122 0.71 ALDH1A1 (1.00) ALDH1A1LMNAMAPTMEN1KMT2A

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