SCHEMBL25900007

SCHEMBL25900007

CCCCCn1ccc2cc(-c3ncc(C(F)F)c(N)n3)c(F)c(F)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 3/20 0.37
▸ GRM2 Q14416 11/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TLR8 Q9NR97 3/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.32
▸ GLO1 Q04760 1/20 0.32

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
SCHEMBL25899203 0.89 TLR8 (0.37) TIPARPGRM2KDM4ELMNAMAPT
SCHEMBL25898794 0.86 TIPARP (0.42) TIPARPGRM2KDM4ELMNAMAPT
SCHEMBL25899251 0.86 TIPARP (0.46) TIPARPGRM2KDM4ELMNAMAPT
SCHEMBL25899963 0.86 GRM2 (0.41) TIPARPGRM2TLR8
SCHEMBL25899977 0.85 HSD17B10 (0.40) TIPARPGRM2KDM4EHTT
SCHEMBL25900019 0.85 GRM2 (0.35) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25899908 0.85 TIPARP (0.51) TIPARPGRM2KDM4ESMN1; SMN2TLR8
SCHEMBL25898801 0.84 GRM2 (0.40) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25898816 0.82 GRM2 (0.38) TIPARPGRM2
SCHEMBL25898093 0.81 LMNA (0.41) TIPARPGRM2KDM4ELMNAMAPT

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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