SCHEMBL30885381

SCHEMBL30885381

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.52
▸ NHERF1 O14745 3/20 0.47
▸ SNCA P37840 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ GOT1 P17174 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40

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
SCHEMBL30885446 0.94 STING1 (0.50) STING1NHERF1SNCACNR1GOT1
SCHEMBL30885392 0.93 STING1 (0.49) STING1NHERF1SNCACNR1GOT1
SCHEMBL30885409 0.92 STING1 (0.48) STING1NHERF1SNCACNR1GOT1
SCHEMBL30885461 0.90 NHERF1 (0.51) STING1NHERF1SNCANTRK1
SCHEMBL30885375 0.90 STING1 (0.54) STING1NHERF1SNCAGOT1
SCHEMBL30885433 0.89 STING1 (0.53) STING1
SCHEMBL30885402 0.86 NHERF1 (0.48) STING1NHERF1SNCANTRK1
SCHEMBL30885423 0.83 STING1 (0.51) STING1
SCHEMBL30885459 0.83 STING1 (0.51) STING1NHERF1SNCA
SCHEMBL30885432 0.83 NHERF1 (0.52) STING1NHERF1SNCANTRK1

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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