SCHEMBL8729490

SCHEMBL8729490

CC(=O)Nc1nc(C)c(S(=O)(=O)Cl)s1.O=S(=O)(Cl)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
RORB Q92753 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3CG P48736 6/20 0.44
PIK3CD O00329 5/20 0.44
PIK3CA P42336 5/20 0.44
PIK3CB P42338 5/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GRM4 Q14833 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
ADORA2A P29274 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL241490 0.84 RORA (0.49) RORARORCRORBPIK3CGPIK3CD
SCHEMBL6888728 0.80 PIK3CD (0.48) RORARORCRORBPIK3CGPIK3CD
SCHEMBL4960428 0.79 PIK3CG (0.47) KDM4ENPC1MAPK1HSD17B10PIK3CG
SCHEMBL9930827 0.79 CCR2 (0.53) RORARORCRORBKDM4EMAPK1
SCHEMBL7731227 0.77 PIK3CD (0.47) RORARORCRORBKDM4ENPC1
SCHEMBL23497091 0.74 GRM4 (0.43) RORARORCRORBNPC1RAB9A
SCHEMBL1234114 0.73 KDM4E (0.58) KDM4ENPC1MAPK1HSD17B10PIK3CG
SCHEMBL1235217 0.72 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL10125972 0.72 PIK3CG (0.57) RORARORCRORBPIK3CGPIK3CD
SCHEMBL4854398 0.72 PIK3CG (0.50) RORARORCRORBPIK3CGPIK3CD

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-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed