SCHEMBL30116639

SCHEMBL30116639

O=C(Nc1ccc(O)c(NS(=O)(=O)C2CC2)c1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.66
PTPN1 P18031 2/20 0.52
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KCNMA1 Q12791 2/20 0.48
SNCA P37840 1/20 0.47
ESR1 P03372 1/20 0.46
MEN1 O00255 2/20 0.45
MCHR1 Q99705 2/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL23226392 1.00 STING1 (0.66) STING1PTPN1KMT2AKDM4EALDH1A1
SCHEMBL23226670 0.89 STING1 (0.53) STING1KMT2ALMNAMAPTSNCA
SCHEMBL30116634 0.89 STING1 (0.53) STING1KMT2ALMNAMAPTSNCA
SCHEMBL23226481 0.89 STING1 (0.52) STING1KMT2AALDH1A1LMNAMAPT
SCHEMBL23226382 0.88 PTPN1 (0.54) STING1PTPN1MCHR1NPC1HTR2C
SCHEMBL30116591 0.88 PTPN1 (0.54) STING1PTPN1MCHR1NPC1HTR2C
SCHEMBL23226571 0.86 STING1 (0.71) STING1PTPN1KMT2AKDM4EALDH1A1
SCHEMBL23212652 0.85 STING1 (0.72) STING1PTPN1KMT2AKDM4EALDH1A1
SCHEMBL23226381 0.85 STING1 (0.51) STING1KMT2AKDM4EALDH1A1LMNA
SCHEMBL30116671 0.85 STING1 (0.51) STING1KMT2AKDM4EALDH1A1LMNA

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-112409223-B Amide compound and medical application thereof as STING inhibitor 中国药科大学 2023-01-31 CN disclosed