SCHEMBL30745857

SCHEMBL30745857

O=C(Nc1ccc(-c2ccc(SC(F)(F)F)cc2)cc1)Nc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.60
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA9 Q16790 5/20 0.51
KIF11 P52732 1/20 0.46
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
MEN1 O00255 3/20 0.44
HSD17B2 P37059 2/20 0.43
HSD17B3 P37058 1/20 0.43
GAA P10253 2/20 0.43
GFER P55789 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL29279917 0.89 STING1 (0.48) STING1CA12CA1CA2CA9
SCHEMBL29279850 0.89 STING1 (0.48) STING1CA12CA1CA2CA9
SCHEMBL29279924 0.87 STING1 (0.47) STING1CA12CA1CA2CA9
SCHEMBL30745862 0.87 STING1 (0.66) STING1CA12CA1CA2CA9
SCHEMBL29279865 0.86 AR (0.48) STING1CA12CA1CA2CA9
SCHEMBL30745913 0.85 STING1 (0.80) STING1CA12CA1CA2CA9
SCHEMBL29279830 0.85 STING1 (0.80) STING1CA12CA1CA2CA9
SCHEMBL29279922 0.79 STING1 (0.50) STING1CA12CA1CA2CA9
SCHEMBL23226600 0.79 STING1 (0.91) STING1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23226654 0.78 STING1 (0.81) STING1KMT2AMAPTKDM4EALDH1A1

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
CN-117682973-A Sulfonamide compound and medical application thereof 中国药科大学 2024-03-12 CN disclosed