SCHEMBL25897886

SCHEMBL25897886

CCCCCn1ccc2cc(-c3ccc(C(F)(F)F)cn3)ncc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTR1A P08908 4/20 0.39
▸ HTR2A P28223 4/20 0.39
▸ DRD2 P14416 4/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ TNF P01375 2/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL25897799 0.86 TIPARP (0.41) TLR8SMN1; SMN2LMNAHTTKDM4E
SCHEMBL25897917 0.85 TLR8 (0.42) TLR8SMN1; SMN2LMNAHTTKDM4E
SCHEMBL25898806 0.80 LMNA (0.40) TLR8SMN1; SMN2LMNAHTTKDM4E
SCHEMBL25897855 0.79 LMNA (0.39) TLR8SMN1; SMN2LMNAHTTKDM4E
SCHEMBL26786834 0.77 LMNA (0.38) TLR8SMN1; SMN2LMNAHTTKDM4E
SCHEMBL25897832 0.77 TIPARP (0.49) TLR8SMN1; SMN2LMNAHTTKDM4E
SCHEMBL25898722 0.77 GRM2 (0.39) SMN1; SMN2LMNAKDM4EGRM2TSHR
SCHEMBL25320799 0.77 TIPARP (0.60) —
SCHEMBL25320803 0.77 TIPARP (0.60) —
SCHEMBL25898542 0.76 TIPARP (0.48) TLR8SMN1; SMN2LMNAHTTKDM4E

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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