SCHEMBL30666307

SCHEMBL30666307

O=C(O)N1Cc2cc(Br)cc(F)c2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 4/20 0.35
ABHD6 Q9BV23 5/20 0.35
HSP90B1 P14625 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
DPP9 Q86TI2 4/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP7 Q9UHL4 3/20 0.32
DGAT1 O75907 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GPR17 Q13304 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
BAZ2B Q9UIF8 1/20 0.30

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
SCHEMBL29040808 0.86 HDAC6 (0.40) ABHD6DPP7HDAC6BAZ2B
SCHEMBL31597954 0.86 ABHD6 (0.38) ABHD6HDAC6BAZ2B
SCHEMBL30666328 0.78 USP30 (0.45) ABHD6
SCHEMBL25233230 0.76 TRAP1 (0.42) TRAP1ABHD6BAZ2B
SCHEMBL38662452 0.74 PTGDR2 (0.43) ABHD6DPP9DPP8DPP7
SCHEMBL19926225 0.74 MEN1 (0.37) TRAP1ABHD6HSP90B1TAS1R3TAS1R1
SCHEMBL29715208 0.73 OPRM1 (0.37)
SCHEMBL497487 0.72 TRAP1 (0.56) TRAP1ABHD6HSP90B1TAS1R3TAS1R1
SCHEMBL30772456 0.72 TRAP1 (0.56) TRAP1ABHD6HSP90B1TAS1R3TAS1R1
SCHEMBL25591078 0.72 KEAP1 (0.44) HDAC6

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-117203194-A Novel compounds useful as STING agonists and uses thereof 北京加科思新药研发有限公司 2023-12-08 CN disclosed