SCHEMBL25897917

SCHEMBL25897917

CCCCCn1ccc2nc(-c3ccc(C(F)(F)F)cn3)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MCHR1 Q99705 3/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 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
SCHEMBL25898722 0.92 GRM2 (0.39) KDM4ELMNASMN1; SMN2TSHRNPC1
SCHEMBL25904615 0.89 KDM4E (0.37) KDM4EMCHR1PTGESL3MBTL1DDR1
SCHEMBL25897886 0.85 TLR8 (0.42) TLR8KDM4ELMNAHTTSMN1; SMN2
SCHEMBL25897855 0.81 LMNA (0.39) TLR8KDM4ELMNAHTTSMN1; SMN2
SCHEMBL25897799 0.80 TIPARP (0.41) TLR8KDM4ELMNAHTTSMN1; SMN2
SCHEMBL26785225 0.77 TIPARP (0.42) PTGESTRPV3
SCHEMBL26795243 0.77 PDE1C (0.39) KDM4EALDH1A1MCHR1RORARORC
SCHEMBL31362920 0.77 TIPARP (0.55) CYP2C9
SCHEMBL25898806 0.76 LMNA (0.40) TLR8KDM4ELMNAHTTSMN1; SMN2
SCHEMBL25898836 0.73 DDR1 (0.42) TLR8KDM4ESMN1; SMN2CNR2NPC1

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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