SCHEMBL30885404

SCHEMBL30885404

O=C(Nc1ccc(SC(F)(F)F)nc1)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.49
▸ NHERF1 O14745 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ F3 P13726 1/20 0.38

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
SCHEMBL30885447 0.90 STING1 (0.51) STING1MAPTTRPV1
SCHEMBL30387111 0.84 STING1 (0.57) STING1NHERF1GRIK1
SCHEMBL28991301 0.84 STING1 (0.57) STING1NHERF1GRIK1
SCHEMBL30885400 0.82 STING1 (0.47) STING1MAPTTRPV1GRIK1F7
SCHEMBL30885445 0.81 STING1 (0.44) STING1NHERF1MAPTSAE1UBA2
SCHEMBL30885397 0.79 STING1 (0.51) STING1NHERF1MAPTGRIK1
SCHEMBL30885459 0.79 STING1 (0.51) STING1NHERF1GRIK1
SCHEMBL30885411 0.79 STING1 (0.70) STING1NHERF1MAPTGRIK1
SCHEMBL30885381 0.78 STING1 (0.52) STING1NHERF1
SCHEMBL30885375 0.78 STING1 (0.54) STING1NHERF1GRIK1

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-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 — — CN disclosed
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