SCHEMBL30116634

SCHEMBL30116634

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.53
ESR1 P03372 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
MCHR1 Q99705 2/20 0.46
PTGS1 P23219 3/20 0.46
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RY14 Q15391 1/20 0.44
SNCA P37840 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 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
SCHEMBL23226670 1.00 STING1 (0.53) STING1ESR1MAPTMEN1NPC1
SCHEMBL23226379 0.90 MCHR1 (0.49) STING1ESR1MCHR1SNCATRPV1
SCHEMBL30116619 0.90 MCHR1 (0.49) STING1ESR1MCHR1SNCATRPV1
SCHEMBL30116639 0.89 STING1 (0.66) STING1ESR1MAPTMEN1NPC1
SCHEMBL23226392 0.89 STING1 (0.66) STING1ESR1MAPTMEN1NPC1
SCHEMBL23226481 0.87 STING1 (0.52) STING1MAPTMEN1NPC1LMNA
SCHEMBL23226590 0.87 STING1 (0.56) STING1MAPTMEN1NPC1LMNA
Hydrochloric Acid SCHEMBL30116673 0.86 STING1 (0.55) STING1MAPTMEN1NPC1LMNA
SCHEMBL23212313 0.85 KIF11 (0.60) STING1MAPTMEN1NPC1LMNA
SCHEMBL30116577 0.85 KIF11 (0.60) STING1MAPTMEN1NPC1LMNA

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