SCHEMBL30885377

SCHEMBL30885377

O=C(Nc1ccc(CCCCCSC(F)(F)F)cc1)Nc1c[nH]c2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 11/20 0.49
▸ MPO P05164 5/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NOTUM Q6P988 1/20 0.36

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
SCHEMBL30885423 0.96 STING1 (0.51) STING1MPOMAPTSLC6A4NOTUM
SCHEMBL30885433 0.92 STING1 (0.53) STING1MPOMAPTKMT2ANOTUM
SCHEMBL30885409 0.90 STING1 (0.48) STING1
SCHEMBL30885392 0.89 STING1 (0.49) STING1
SCHEMBL30885428 0.86 STING1 (0.55) STING1MPOMAPTNOTUM
SCHEMBL30885442 0.86 STING1 (0.46) STING1MPOMAPTSLC6A4
SCHEMBL30885446 0.86 STING1 (0.50) STING1
SCHEMBL30885391 0.84 STING1 (0.46) STING1MPOMAPTSLC6A4NOTUM
SCHEMBL30885444 0.83 STING1 (0.62) STING1MAPTKMT2A
SCHEMBL30885374 0.83 STING1 (0.48) STING1MAPT

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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