SCHEMBL30885428

SCHEMBL30885428

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.55
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ NOTUM Q6P988 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38

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
SCHEMBL30885433 0.90 STING1 (0.53) STING1MAPTKDM4EALDH1A1MPO
SCHEMBL30885375 0.88 STING1 (0.54) STING1
SCHEMBL30885423 0.88 STING1 (0.51) STING1MAPTMPONOTUMMTNR1A
SCHEMBL30885377 0.86 STING1 (0.49) STING1MAPTMPONOTUM
SCHEMBL30885434 0.85 STING1 (0.53) STING1MAPTKDM4EALDH1A1
SCHEMBL30885399 0.85 STING1 (0.52) STING1MAPTKDM4EALDH1A1TSHR
SCHEMBL30885386 0.84 STING1 (0.58) STING1MAPTKDM4EALDH1A1
SCHEMBL28991332 0.82 STING1 (0.72) STING1MAPT
SCHEMBL30386673 0.82 STING1 (0.72) STING1MAPT
SCHEMBL30885374 0.82 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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