SCHEMBL30885447

SCHEMBL30885447

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.51
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TRPV1 Q8NER1 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37

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
SCHEMBL30885404 0.90 STING1 (0.49) STING1MAPTTRPV1
SCHEMBL30885386 0.85 STING1 (0.58) STING1MAPTKDM4EALDH1A1TRPV1
SCHEMBL30885395 0.84 STING1 (0.44) STING1KDM4E
SCHEMBL30885449 0.82 STING1 (0.47) STING1MAPTKDM4EALDH1A1TRPV1
SCHEMBL30885458 0.80 STING1 (0.53) STING1MAPTKDM4ELMNAHTT
SCHEMBL30885399 0.80 STING1 (0.52) STING1MAPTKDM4EALDH1A1
SCHEMBL30386673 0.79 STING1 (0.72) STING1MAPTTRPV1MEN1HTT
SCHEMBL28991332 0.79 STING1 (0.72) STING1MAPTTRPV1MEN1HTT
SCHEMBL30885433 0.78 STING1 (0.53) STING1MAPTKDM4EALDH1A1MEN1
SCHEMBL30885428 0.78 STING1 (0.55) STING1MAPTKDM4EALDH1A1

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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