SCHEMBL23212652

SCHEMBL23212652

NS(=O)(=O)Nc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.72
PTPN1 P18031 3/20 0.58
KMT2A Q03164 5/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
SNCA P37840 2/20 0.52
MEN1 O00255 4/20 0.50
KCNMA1 Q12791 2/20 0.50
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
MITF O75030 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PTPN11 Q06124 2/20 0.46
PTPN6 P29350 1/20 0.46

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
SCHEMBL23226571 0.89 STING1 (0.71) STING1PTPN1KMT2AMAPTKDM4E
SCHEMBL30116577 0.88 KIF11 (0.60) STING1KMT2AMAPTLMNASNCA
SCHEMBL23212313 0.88 KIF11 (0.60) STING1KMT2AMAPTLMNASNCA
SCHEMBL23226600 0.88 STING1 (0.91) STING1PTPN1KMT2AMAPTKDM4E
SCHEMBL23226489 0.88 STING1 (0.56) STING1KMT2AMAPTALDH1A1MEN1
SCHEMBL30116613 0.85 STING1 (0.82) STING1PTPN1KMT2AMAPTKDM4E
SCHEMBL23226665 0.85 STING1 (0.82) STING1PTPN1KMT2AMAPTKDM4E
SCHEMBL23226392 0.85 STING1 (0.66) STING1PTPN1KMT2AMAPTKDM4E
SCHEMBL30116639 0.85 STING1 (0.66) STING1PTPN1KMT2AMAPTKDM4E
SCHEMBL23226363 0.84 STING1 (0.88) STING1PTPN1KMT2AMAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 WO disclosed
WO-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 WO disclosed