SCHEMBL30885402

SCHEMBL30885402

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 2/20 0.48
▸ STING1 Q86WV6 8/20 0.45
▸ TRPV1 Q8NER1 3/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ NTRK1 P04629 1/20 0.40
▸ CDK19 Q9BWU1 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ PYGL P06737 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ GRIK1 P39086 2/20 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
SCHEMBL30885461 0.95 NHERF1 (0.51) NHERF1STING1TRPV1KMT2ANTRK1
SCHEMBL30885442 0.90 STING1 (0.46) STING1TRPV1SMN1; SMN2SNCAGRIK1
SCHEMBL30885446 0.90 STING1 (0.50) NHERF1STING1NTRK1SNCAGRIK1
SCHEMBL30885432 0.89 NHERF1 (0.52) NHERF1STING1TRPV1KMT2ANTRK1
SCHEMBL30885392 0.87 STING1 (0.49) NHERF1STING1NTRK1SNCAGRIK1
SCHEMBL30885409 0.86 STING1 (0.48) NHERF1STING1NTRK1SNCAGRIK1
SCHEMBL30885381 0.86 STING1 (0.52) NHERF1STING1NTRK1SNCA
SCHEMBL30885374 0.85 STING1 (0.48) STING1TRPV1SMN1; SMN2SNCAGRIK1
SCHEMBL30885375 0.80 STING1 (0.54) NHERF1STING1SNCAGRIK1
SCHEMBL30885423 0.79 STING1 (0.51) STING1

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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