SCHEMBL25898769

SCHEMBL25898769

CCCCCn1ccc2cc(-c3ccc(C(F)F)cn3)c(F)c(F)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 18/20 0.40
▸ TIPARP Q7Z3E1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL25898794 0.88 TIPARP (0.42) GRM2TIPARPKDM4ELMNAMAPT
SCHEMBL25898823 0.88 GRM2 (0.37) GRM2
SCHEMBL26786739 0.85 GRM2 (0.36) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25898407 0.84 TIPARP (0.48) GRM2TIPARP
SCHEMBL25898806 0.84 LMNA (0.40) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25898816 0.80 GRM2 (0.38) GRM2TIPARP
SCHEMBL25898801 0.79 GRM2 (0.40) GRM2KDM4ELMNAMAPTHTT
SCHEMBL26786770 0.79 GRM2 (0.37) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25900019 0.79 GRM2 (0.35) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25900007 0.79 TIPARP (0.37) GRM2TIPARPKDM4ELMNAMAPT

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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