SCHEMBL30765137

SCHEMBL30765137

NC(=O)c1cc(F)c(OCc2ccccc2Br)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.62
STING1 Q86WV6 9/20 0.56
MAOB P27338 2/20 0.51
PARP15 Q460N3 1/20 0.51
PARP14 Q460N5 1/20 0.51
ALDH1A1 P00352 1/20 0.46
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL30765122 0.83 MAOB (0.51) PARP10STING1MAOBPARP15PARP14
SCHEMBL2292269 0.81 IDO1 (0.47) PARP10MAOBALDH1A1FFAR4FFAR1
SCHEMBL30765166 0.77 PARP10 (1.00) PARP10MAOBPARP15PARP14ALDH1A1
SCHEMBL4639879 0.76 PARP10 (0.72) PARP10MAOBPARP15PARP14ALDH1A1
SCHEMBL23112017 0.73 PARP10 (0.50) PARP10STING1MAOBPARP15PARP14
SCHEMBL23635888 0.72 STING1 (1.00) STING1
SCHEMBL2291302 0.72 IDO1 (0.52) PARP10ALDH1A1FFAR4FFAR1MEN1
SCHEMBL6983631 0.71 ALDH1A1 (0.75) PARP10ALDH1A1MEN1MAPTKMT2A
SCHEMBL30765139 0.70 PARP10 (0.68) PARP10MAOBPARP15PARP14ALDH1A1
SCHEMBL4273222 0.70 ALDH1A1 (0.54) PARP10ALDH1A1FFAR4FFAR1MEN1

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-112424181-B Substituted condensed thiophenes as STING modulators 希泰克斯特私人有限公司 2024-02-27 CN disclosed