SCHEMBL30116619

SCHEMBL30116619

O=C(Nc1ccc(O)c(NS(=O)(=O)C2CC2)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.49
TRPV1 Q8NER1 3/20 0.47
SNCA P37840 1/20 0.45
KIF11 P52732 1/20 0.44
TDO2 P48775 1/20 0.44
STING1 Q86WV6 1/20 0.44
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
WNT3A P56704 2/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
ESR1 P03372 1/20 0.41
CTPS1 P17812 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41

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
SCHEMBL23226379 1.00 MCHR1 (0.49) MCHR1TRPV1SNCAKIF11TDO2
SCHEMBL23226382 0.90 PTPN1 (0.54) MCHR1TRPV1STING1PTPN1PTPN6
SCHEMBL30116591 0.90 PTPN1 (0.54) MCHR1TRPV1STING1PTPN1PTPN6
SCHEMBL30116634 0.90 STING1 (0.53) MCHR1TRPV1SNCAKIF11STING1
SCHEMBL23226670 0.90 STING1 (0.53) MCHR1TRPV1SNCAKIF11STING1
SCHEMBL23226749 0.89 TRPV1 (0.50) MCHR1TRPV1SNCAKIF11TDO2
SCHEMBL30116569 0.89 TRPV1 (0.50) MCHR1TRPV1SNCAKIF11TDO2
SCHEMBL23226397 0.88 MCHR1 (0.47) MCHR1TRPV1TDO2STING1PTPN1
SCHEMBL23226495 0.88 KIF11 (0.56) MCHR1TRPV1SNCAKIF11TDO2
SCHEMBL23212320 0.82 TRPV1 (0.46) MCHR1TRPV1SNCAKIF11TDO2

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