SCHEMBL3807331

SCHEMBL3807331

CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)sc2OC(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.47
PIK3CA P42336 4/20 0.47
PIK3CD O00329 4/20 0.47
PIK3CB P42338 4/20 0.47
RORA P35398 1/20 0.47
RORC P51449 1/20 0.47
RORB Q92753 1/20 0.47
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
AKT1 P31749 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
SCHEMBL2157974 0.86 NPSR1 (0.54) PIK3CGPIK3CAPIK3CDPIK3CBRORA
SCHEMBL6431189 0.79 PIK3CG (0.45) PIK3CGPIK3CAPIK3CDPIK3CBRORA
SCHEMBL3816575 0.77 NPSR1 (0.67) NPSR1KDM4ERXFP1
SCHEMBL3812255 0.77 NPSR1 (0.50) NPSR1KDM4ERXFP1ALDH1A1LMNA
SCHEMBL6823767 0.76 RORA (0.54) PIK3CGPIK3CAPIK3CDPIK3CBRORA
SCHEMBL3816632 0.76 NPSR1 (0.49) NPSR1KDM4ERXFP1ALDH1A1MEN1
SCHEMBL3811715 0.76 NPSR1 (0.69) NPSR1KDM4ERXFP1LMNAMEN1
SCHEMBL17599331 0.76 PIK3CG (0.45) PIK3CGPIK3CAPIK3CDPIK3CBRORA
SCHEMBL3817684 0.75 NPSR1 (0.47) NPSR1KDM4ERXFP1ALDH1A1LMNA
SCHEMBL3815606 0.75 ACLY (0.59) NPSR1KDM4ERXFP1ALDH1A1LMNA

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed