SCHEMBL38716

SCHEMBL38716

O=C(NCc1cccc(-c2cn3ncccc3n2)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.47
CYP2C9 P11712 1/20 0.43
WDR5 P61964 5/20 0.43
MAPT P10636 1/20 0.42
NAMPT P43490 3/20 0.40
BTK Q06187 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL44576 0.79 WDR5 (0.46) WDR5MAPTBTKKDM4EALDH1A1
SCHEMBL38703 0.78 WDR5 (0.44) CYP2C9WDR5NAMPTBTKKDM4E
SCHEMBL44622 0.78 LMNA (0.50) WDR5MAPTKDM4EALDH1A1
SCHEMBL44668 0.77 CYP19A1 (0.56) MAPTNAMPTPIK3CDPIK3CGKDM4E
SCHEMBL44344 0.77 TP53 (0.45) NAMPTPIK3CDPIK3CGALDH1A1SMN1; SMN2
SCHEMBL38565 0.76 WDR5 (0.44) CYP2C9WDR5BTKKDM4EALDH1A1
SCHEMBL39537 0.76 WDR5 (0.46) WDR5MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL13844942 0.75 WDR5 (0.52) CYP2C9WDR5KDM4ESMN1; SMN2
SCHEMBL44512 0.75 WDR5 (0.52) WDR5MAPTNAMPTKDM4E
SCHEMBL44679 0.75 ROCK2 (0.51) MAPTNAMPTALDH1A1SMN1; SMN2

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-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed