SCHEMBL25898801

SCHEMBL25898801

CCCCCn1ccc2cc(-c3ncc(F)cn3)c(F)c(F)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 15/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL26786819 0.90 GRM2 (0.38) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25898794 0.89 TIPARP (0.42) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25898093 0.89 LMNA (0.41) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25898816 0.87 GRM2 (0.38) GRM2
SCHEMBL31058433 0.86 LMNA (0.40) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25899203 0.86 TLR8 (0.37) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25900007 0.84 TIPARP (0.37) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25899963 0.83 GRM2 (0.41) GRM2TLR8
SCHEMBL25899251 0.83 TIPARP (0.46) GRM2KDM4ELMNAMAPTHTT
SCHEMBL26787885 0.83 GRM2 (0.38) GRM2KDM4ELMNAMAPTHTT

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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