SCHEMBL23226438

SCHEMBL23226438

NS(=O)(=O)Nc1cc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.48
▸ KIF11 P52732 4/20 0.47
▸ IL2 P60568 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ P2RX1 P51575 2/20 0.44
▸ P2RX4 Q99571 2/20 0.44
▸ P2RX7 Q99572 2/20 0.44
▸ TMPRSS4 Q9NRS4 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TRPV1 Q8NER1 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ AVPR2 P30518 1/20 0.42
▸ GPR27 Q9NS67 1/20 0.42
▸ SMO Q99835 1/20 0.42

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
SCHEMBL23226707 0.91 STING1 (0.47) STING1IL2CA12CA1CA2
SCHEMBL23226421 0.91 STING1 (0.47) STING1KIF11IL2CA12CA1
SCHEMBL23226430 0.89 STING1 (0.46) STING1KIF11IL2CA12CA1
SCHEMBL23226588 0.89 STING1 (0.45) STING1IL2CA12CA1CA2
SCHEMBL23226716 0.88 STING1 (0.63) STING1MEN1KMT2ALMNAMAPT
SCHEMBL23212313 0.87 KIF11 (0.60) STING1KIF11CA1CA2MEN1
SCHEMBL30116577 0.87 KIF11 (0.60) STING1KIF11CA1CA2MEN1
SCHEMBL23212314 0.87 STING1 (0.67) STING1CA12CA1CA2CA9
SCHEMBL23226475 0.87 MEN1 (0.46) STING1IL2CA12CA1CA2
SCHEMBL23226621 0.86 STING1 (0.45) STING1IL2MEN1KMT2ALMNA

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 3 patents. 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
WO-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 — — WO disclosed
CN-112409223-A Amide compounds and medical application thereof as STING inhibitor 中国药科大学 2021-02-26 — — CN disclosed
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