SCHEMBL30885399

SCHEMBL30885399

O=C(Nc1ccc(Cc2ccc(SC(F)(F)F)cc2)cc1)Nc1c[nH]c2ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.52
▸ KCNK2 O95069 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MPO P05164 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
SCHEMBL30885386 0.94 STING1 (0.58) STING1KCNK2MAPTKIF11KDM4E
SCHEMBL30885459 0.89 STING1 (0.51) STING1KCNK2SNCA
SCHEMBL30885458 0.89 STING1 (0.53) STING1MAPTKDM4E
SCHEMBL30885437 0.85 STING1 (0.58) STING1KCNK2KIF11ALDH1A1
SCHEMBL30885428 0.85 STING1 (0.55) STING1MAPTKDM4EALDH1A1TSHR
SCHEMBL30885433 0.83 STING1 (0.53) STING1MAPTKDM4EALDH1A1MPO
SCHEMBL30885389 0.82 STING1 (0.57) STING1KCNK2KIF11ALDH1A1
SCHEMBL28991301 0.82 STING1 (0.57) STING1KCNK2KIF11
SCHEMBL30885429 0.82 STING1 (0.51) STING1KIF11ALDH1A1
SCHEMBL30387111 0.82 STING1 (0.57) STING1KCNK2KIF11

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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