SCHEMBL30765166

SCHEMBL30765166

NC(=O)c1ccc(OCc2ccccc2Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 1.00
MAOB P27338 5/20 0.68
PARP15 Q460N3 2/20 0.68
PARP14 Q460N5 2/20 0.68
FFAR1 O14842 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
TMPRSS6 Q8IU80 1/20 0.55
ST14 Q9Y5Y6 1/20 0.55
PTPRC P08575 1/20 0.54
PTPN1 P18031 1/20 0.54
ALDH1A1 P00352 1/20 0.50
NR4A2 P43354 1/20 0.50

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
SCHEMBL4639879 0.84 PARP10 (0.72) PARP10MAOBPARP15PARP14FFAR1
SCHEMBL20883219 0.81 PARP10 (1.00) PARP10MAOBPARP15PARP14
SCHEMBL30765129 0.81 NR4A2 (0.75) PARP10MAOBPARP15PARP14F2
SCHEMBL28853696 0.79 PARP10 (0.65) PARP10MAOBPARP15PARP14F2
SCHEMBL30765113 0.79 PARP10 (0.65) PARP10MAOBPARP15PARP14F2
SCHEMBL30765117 0.78 PARP10 (0.63) PARP10MAOBPARP15PARP14FFAR1
SCHEMBL1259945 0.77 PARP10 (0.62) PARP10MAOBFFAR1FFAR4F2
SCHEMBL23630823 0.77 PARP10 (0.62) PARP10MAOBPARP15PARP14ALDH1A1
SCHEMBL119689 0.77 PARP10 (1.00) PARP10MAOBPARP15PARP14NR4A2
SCHEMBL30765094 0.77 PARP10 (0.62) PARP10MAOBPARP15PARP14F2

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