SCHEMBL25898499

SCHEMBL25898499

N[C@H](CCCn1ccc2cc(Br)c(F)cc2c1=O)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.34
▸ TNF P01375 5/20 0.34
▸ PSMB1 P20618 3/20 0.33
▸ PSMB5 P28074 3/20 0.33
▸ HDAC3 O15379 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ SIGMAR1 Q99720 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30
▸ DPP7 Q9UHL4 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
SCHEMBL30550902 0.82 TNF (0.37) TIPARPTNFPSMB1PSMB5HDAC3
SCHEMBL25320565 0.82 TNF (0.37) TIPARPTNFPSMB1PSMB5HDAC3
SCHEMBL25320560 0.82 TNF (0.37) TIPARPTNFPSMB1PSMB5HDAC3
SCHEMBL25321729 0.81 TNF (0.43) TIPARPTNFPSMB1PSMB5HDAC3
SCHEMBL25324896 0.80 PSMB1 (0.41) TIPARPTNFPSMB1PSMB5HDAC3
SCHEMBL25898500 0.80 TIPARP (0.34) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL30550904 0.79 TIPARP (0.39) TIPARPTNFPSMB1PSMB5HDAC3
SCHEMBL25319089 0.79 TIPARP (0.39) TIPARPTNFPSMB1PSMB5HDAC3
SCHEMBL25319081 0.79 TIPARP (0.39) TIPARPTNFPSMB1PSMB5HDAC3
SCHEMBL25323234 0.78 TIPARP (0.48) TIPARPSIGMAR1

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
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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