SCHEMBL30745862

SCHEMBL30745862

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.66
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KDM1A O60341 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ERAP1 Q9NZ08 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
XBP1 P17861 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL30116607 0.91 STING1 (0.81) STING1MAPTLMNAKMT2AMEN1
SCHEMBL23226654 0.91 STING1 (0.81) STING1MAPTLMNAKMT2AMEN1
SCHEMBL29279830 0.88 STING1 (0.80) STING1CA12CA1CA2CA9
SCHEMBL30745913 0.88 STING1 (0.80) STING1CA12CA1CA2CA9
SCHEMBL30745857 0.87 STING1 (0.60) STING1CA12CA1CA2CA9
SCHEMBL23226613 0.86 STING1 (0.76) STING1MAPTLMNAKMT2AMEN1
SCHEMBL30116608 0.86 STING1 (0.76) STING1MAPTLMNAKMT2AMEN1
SCHEMBL29279922 0.86 STING1 (0.50) STING1CA12CA1CA2CA9
SCHEMBL23226399 0.83 STING1 (0.79) STING1MAPTLMNAKMT2AMEN1
SCHEMBL23226600 0.83 STING1 (0.91) STING1MAPTLMNAKMT2AMEN1

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