SCHEMBL25899897

SCHEMBL25899897

CCCCCn1ccc2cc(-c3ncc(F)c(N)n3)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.51
▸ TNF P01375 5/20 0.37
▸ GRM2 Q14416 2/20 0.36
▸ TLR8 Q9NR97 3/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 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
SCHEMBL25899908 0.90 TIPARP (0.51) TIPARPTNFGRM2TLR8HDAC3
SCHEMBL25899853 0.89 TIPARP (0.60) TIPARPTNFGRM2TLR8HDAC3
SCHEMBL25899875 0.89 TIPARP (0.50) TIPARPTNFGRM2TLR8
SCHEMBL26787748 0.89 TIPARP (0.59) TIPARPTNFGRM2TLR8HDAC3
SCHEMBL26789113 0.89 TIPARP (0.48) TIPARPTNFGRM2TLR8HDAC3
SCHEMBL25899110 0.88 TIPARP (0.47) TIPARPTNFGRM2TLR8HDAC3
SCHEMBL25898391 0.87 TIPARP (0.46) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25897832 0.84 TIPARP (0.49) TIPARPTNFGRM2TLR8HDAC3
SCHEMBL25898159 0.83 TIPARP (0.43) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25899282 0.83 TIPARP (0.43) TIPARPTNFGRM2HDAC3HDAC1

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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