SCHEMBL25897776

SCHEMBL25897776

CCCCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)cc(F)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 15/20 0.46
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TLR8 Q9NR97 2/20 0.38
▸ GLO1 Q04760 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL25904911 0.89 GRM2 (0.43) GRM2
SCHEMBL25898093 0.84 LMNA (0.41) GRM2LMNAHTTKDM4EMAPT
SCHEMBL25898732 0.80 GRM2 (0.51) GRM2
SCHEMBL31058433 0.80 LMNA (0.40) GRM2LMNAHTTKDM4EMAPT
SCHEMBL25897832 0.80 TIPARP (0.49) GRM2LMNAHTTKDM4EMAPT
SCHEMBL25898067 0.79 GRM2 (0.47) GRM2TLR8GLO1
SCHEMBL25898542 0.79 TIPARP (0.48) GRM2LMNAHTTKDM4EMAPT
SCHEMBL25321657 0.77 TIPARP (0.60) —
SCHEMBL25321661 0.77 TIPARP (0.60) —
SCHEMBL26793446 0.76 TIPARP (0.49) GRM2LMNAHTTKDM4EMAPT

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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