SCHEMBL30885442

SCHEMBL30885442

O=C(Nc1cccc(CCCSC(F)(F)F)c1)Nc1c[nH]c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 9/20 0.46
▸ TRPV1 Q8NER1 2/20 0.43
▸ ANO1 Q5XXA6 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GOT1 P17174 1/20 0.38
▸ MPO P05164 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ SNCA P37840 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
SCHEMBL30885374 0.95 STING1 (0.48) STING1TRPV1ANO1MAPTSMN1; SMN2
SCHEMBL30885402 0.90 NHERF1 (0.48) STING1TRPV1SMN1; SMN2GRIK1SNCA
SCHEMBL30885423 0.90 STING1 (0.51) STING1MAPTMPOSLC6A4
SCHEMBL30885377 0.86 STING1 (0.49) STING1MAPTMPOSLC6A4
SCHEMBL30885433 0.85 STING1 (0.53) STING1MAPTSMN1; SMN2MPO
SCHEMBL30885461 0.85 NHERF1 (0.51) STING1TRPV1GRIK1SNCA
SCHEMBL30885428 0.79 STING1 (0.55) STING1MAPTMPO
SCHEMBL30885446 0.79 STING1 (0.50) STING1GOT1GRIK1SNCA
SCHEMBL30885444 0.79 STING1 (0.62) STING1MAPTGOT1
SCHEMBL30885432 0.78 NHERF1 (0.52) STING1TRPV1MAPTGRIK1SNCA

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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