SCHEMBL30885448

SCHEMBL30885448

O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.57
▸ GRIK1 P39086 4/20 0.46
▸ KCNK2 O95069 2/20 0.45
▸ KCNK10 P57789 2/20 0.45
▸ KIF11 P52732 1/20 0.41
▸ TRPV1 Q8NER1 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
SCHEMBL30387111 0.91 STING1 (0.57) STING1GRIK1KCNK2KCNK10KIF11
SCHEMBL28991301 0.91 STING1 (0.57) STING1GRIK1KCNK2KCNK10KIF11
SCHEMBL30885437 0.88 STING1 (0.58) STING1KCNK2KIF11
SCHEMBL30885385 0.87 STING1 (0.57) STING1GRIK1KCNK2KCNK10KIF11
SCHEMBL30885459 0.86 STING1 (0.51) STING1GRIK1KCNK2KCNK10
SCHEMBL30885397 0.86 STING1 (0.51) STING1GRIK1KCNK2KCNK10
SCHEMBL30885387 0.85 STING1 (0.47) STING1KIF11TRPV1
SCHEMBL30885424 0.85 STING1 (0.47) STING1KIF11TRPV1
SCHEMBL30386163 0.84 STING1 (0.50) STING1KIF11TRPV1
SCHEMBL30885436 0.83 STING1 (0.46) STING1GRIK1KIF11TRPV1

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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