SCHEMBL30885443

SCHEMBL30885443

O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1c[nH]c2cc(Br)c(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.47
▸ KCNK2 O95069 1/20 0.46
▸ KCNK10 P57789 1/20 0.46
▸ KIF11 P52732 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TRPV1 Q8NER1 2/20 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
SCHEMBL30885419 0.96 STING1 (0.47) STING1KCNK2KCNK10KIF11ALDH1A1
SCHEMBL30386163 0.91 STING1 (0.50) STING1KIF11ALDH1A1NPC1RAB9A
SCHEMBL30885387 0.87 STING1 (0.47) STING1KIF11ALDH1A1MEN1NPC1
SCHEMBL30885424 0.85 STING1 (0.47) STING1KIF11ALDH1A1MEN1NPC1
SCHEMBL30885385 0.85 STING1 (0.57) STING1KCNK2KCNK10KIF11ALDH1A1
SCHEMBL30885389 0.85 STING1 (0.57) STING1KCNK2KCNK10KIF11ALDH1A1
SCHEMBL30885437 0.84 STING1 (0.58) STING1KCNK2KIF11ALDH1A1NPC1
SCHEMBL30885386 0.84 STING1 (0.58) STING1KCNK2KIF11ALDH1A1MAPT
SCHEMBL23167399 0.81 STING1 (0.64) STING1MEN1MAPTHTTRAB9A
SCHEMBL30885448 0.81 STING1 (0.57) STING1KCNK2KCNK10KIF11TRPV1

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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