SCHEMBL30885374

SCHEMBL30885374

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 9/20 0.48
▸ ANO1 Q5XXA6 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TRPV1 Q8NER1 4/20 0.41
▸ GOT1 P17174 1/20 0.40
▸ GRIK1 P39086 1/20 0.40
▸ SNCA P37840 1/20 0.39
▸ ADRB3 P13945 1/20 0.39

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
SCHEMBL30885442 0.95 STING1 (0.46) STING1ANO1MAPTSMN1; SMN2TRPV1
SCHEMBL30885433 0.90 STING1 (0.53) STING1MAPTSMN1; SMN2ADRB3
SCHEMBL30885461 0.89 NHERF1 (0.51) STING1TRPV1GRIK1SNCA
SCHEMBL30885402 0.85 NHERF1 (0.48) STING1SMN1; SMN2TRPV1GRIK1SNCA
SCHEMBL30885423 0.84 STING1 (0.51) STING1MAPT
SCHEMBL30885377 0.83 STING1 (0.49) STING1MAPT
SCHEMBL30885428 0.82 STING1 (0.55) STING1MAPT
SCHEMBL30885460 0.81 STING1 (0.45) STING1MAPT
SCHEMBL30885432 0.80 NHERF1 (0.52) STING1MAPTTRPV1GRIK1SNCA
SCHEMBL30885381 0.79 STING1 (0.52) STING1GOT1SNCA

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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