SCHEMBL25897799

SCHEMBL25897799

CCCCCn1ccc2cc(-c3ccc(C(F)(F)F)cn3)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.41
▸ TLR8 Q9NR97 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ TNF P01375 3/20 0.36
▸ SIK1 P57059 1/20 0.35
▸ SIK2 Q9H0K1 1/20 0.35
▸ SIK3 Q9Y2K2 1/20 0.35
▸ GRM2 Q14416 2/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PTGES O14684 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
SCHEMBL25897832 0.88 TIPARP (0.49) TIPARPTLR8LMNAHTTKDM4E
SCHEMBL25898373 0.88 NPC1 (0.40) TIPARPTLR8KDM4ESMN1; SMN2TNF
SCHEMBL25898542 0.87 TIPARP (0.48) TIPARPTLR8LMNAHTTKDM4E
SCHEMBL25897886 0.86 TLR8 (0.42) TLR8LMNAHTTKDM4EMAPT
SCHEMBL26793446 0.85 TIPARP (0.49) TIPARPLMNAHTTKDM4EMAPT
SCHEMBL25898806 0.84 LMNA (0.40) TLR8LMNAHTTKDM4EMAPT
SCHEMBL25898836 0.84 DDR1 (0.42) TLR8KDM4ESMN1; SMN2CNR2TNF
SCHEMBL25898407 0.84 TIPARP (0.48) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25899773 0.84 TIPARP (0.44) TIPARPTLR8LMNAHTTKDM4E
SCHEMBL25898742 0.84 TIPARP (0.46) TIPARPTLR8LMNAHTTKDM4E

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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