SCHEMBL10133742

SCHEMBL10133742

CC(=O)Nc1nc(C)c(S(=O)(=O)NC(C)C)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.51
RORC P51449 1/20 0.51
RORB Q92753 1/20 0.51
PIK3CG P48736 10/20 0.45
PIK3CA P42336 8/20 0.45
PIK3CD O00329 8/20 0.45
PIK3CB P42338 7/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LCK P06239 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40

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
SCHEMBL20118022 0.86 RORA (0.47) RORARORCRORBPIK3CGPIK3CA
SCHEMBL1940303 0.85 RORA (0.48) RORARORCRORBPIK3CGPIK3CA
SCHEMBL12197706 0.83 RORA (0.54) RORARORCRORBPIK3CGPIK3CA
SCHEMBL7065705 0.82 MEN1 (0.47) RORARORCRORBPIK3CGPIK3CA
SCHEMBL14519868 0.82 RORA (0.47) RORARORCRORBPIK3CGPIK3CA
SCHEMBL12229089 0.82 RORA (0.51) RORARORCRORBPIK3CGPIK3CA
SCHEMBL6101006 0.81 RORA (0.50) RORARORCRORBPIK3CGPIK3CA
SCHEMBL4854398 0.80 PIK3CG (0.50) RORARORCRORBPIK3CGPIK3CA
SCHEMBL10125972 0.80 PIK3CG (0.57) RORARORCRORBPIK3CGPIK3CA
SCHEMBL41794 0.80 PIK3CG (0.59) RORARORCRORBPIK3CGPIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003476-A2 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 WO disclosed