SCHEMBL25898806

SCHEMBL25898806

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TLR8 Q9NR97 3/20 0.39
▸ GRM2 Q14416 10/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ PTGES O14684 2/20 0.33
▸ GLO1 Q04760 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ KCNQ4 P56696 1/20 0.33
▸ KCNQ5 Q9NR82 1/20 0.33

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
SCHEMBL26786834 0.92 LMNA (0.38) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25898093 0.88 LMNA (0.41) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL31058433 0.85 LMNA (0.40) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25898769 0.84 GRM2 (0.40) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25897799 0.84 TIPARP (0.41) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25898823 0.82 GRM2 (0.37) GRM2PTGES
SCHEMBL25897855 0.80 LMNA (0.39) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25897886 0.80 TLR8 (0.42) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25898801 0.79 GRM2 (0.40) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL26786770 0.79 GRM2 (0.37) LMNAHTTKDM4EMAPTSMN1; SMN2

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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