SCHEMBL30116655

SCHEMBL30116655

O=C(Nc1ccc(O)c(NC(=O)c2ccc(F)cc2)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.75
HDAC1 Q13547 7/20 0.66
HDAC2 Q92769 2/20 0.66
PTPN1 P18031 1/20 0.61
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
KCNMA1 Q12791 2/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 5/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
DEGS1 O15121 1/20 0.57
MEN1 O00255 4/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL23226636 1.00 STING1 (0.75) STING1HDAC1HDAC2PTPN1KCNK3
SCHEMBL30116581 0.86 HDAC1 (0.65) STING1HDAC1HDAC2PTPN1KMT2A
SCHEMBL23212318 0.86 HDAC1 (0.65) STING1HDAC1HDAC2PTPN1KMT2A
SCHEMBL29923263 0.86 STING1 (1.00) STING1PTPN1KCNK3KCNK9KMT2A
SCHEMBL23226366 0.86 STING1 (1.00) STING1PTPN1KCNK3KCNK9KMT2A
SCHEMBL23226675 0.85 HDAC1 (0.79) STING1HDAC1HDAC2PTPN1KMT2A
SCHEMBL30116663 0.85 HDAC1 (0.79) STING1HDAC1HDAC2PTPN1KMT2A
SCHEMBL23229660 0.85 STING1 (0.66) STING1HDAC1HDAC2PTPN1KCNK3
SCHEMBL7817331 0.84 HDAC1 (0.69) HDAC1HDAC2PTPN1KCNK3KCNK9
SCHEMBL23212652 0.82 STING1 (0.72) STING1PTPN1KCNK3KCNK9KCNMA1

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