SCHEMBL18588564

SCHEMBL18588564

CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(C)(O)C(F)(F)F)cc2)s1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.82
RORC P51449 1/20 0.82
RORB Q92753 1/20 0.82
PIK3CD O00329 7/20 0.48
PIK3CG P48736 7/20 0.48
PIK3C3 Q8NEB9 2/20 0.48
PIK3CA P42336 5/20 0.43
PIK3CB P42338 5/20 0.43
IDH1 O75874 1/20 0.43
GAA P10253 1/20 0.41
HSD11B1 P28845 1/20 0.41
DYRK1A Q13627 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 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
SCHEMBL2489597 0.90 RORA (1.00) RORARORCRORBPIK3CDPIK3CG
SCHEMBL2959779 0.81 RORA (0.69) RORARORCRORBPIK3CDPIK3CG
SCHEMBL19556832 0.79 RORC (0.80) RORARORCRORBSMN1; SMN2
SCHEMBL19556830 0.75 RORC (0.74) RORARORCRORBSMN1; SMN2
SCHEMBL3556136 0.74 RORA (0.60) RORARORCRORBPIK3CDPIK3CG
SCHEMBL1487088 0.72 RORA (0.54) RORARORCRORBPIK3CDPIK3CG
SCHEMBL12334613 0.72 RORA (0.50) RORARORCRORBIDH1HSD11B1
SCHEMBL12334055 0.72 MCL1 (0.61) RORARORCRORBIDH1HSD11B1
SCHEMBL21047664 0.72 SMN1; SMN2 (0.72) HSD11B1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL12334606 0.71 RORA (0.51) RORARORCRORBHSD11B1MEN1

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
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed