SCHEMBL25898391

SCHEMBL25898391

CCCCCn1ccc2cc(-c3ncc(F)cn3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.46
▸ TNF P01375 5/20 0.39
▸ GRM2 Q14416 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GLO1 Q04760 1/20 0.36

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 0.89 TIPARP (0.49) TIPARPTNFGRM2NPC1RAB9A
SCHEMBL25898542 0.89 TIPARP (0.48) TIPARPTNFGRM2NPC1RAB9A
SCHEMBL25898159 0.89 TIPARP (0.43) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25899282 0.89 TIPARP (0.43) TIPARPTNFGRM2NPC1RAB9A
SCHEMBL25899151 0.88 TIPARP (0.46) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25899897 0.87 TIPARP (0.51) TIPARPTNFGRM2NPC1RAB9A
SCHEMBL25898373 0.87 NPC1 (0.40) TIPARPTNFGRM2NPC1RAB9A
SCHEMBL25898605 0.87 TIPARP (0.49) TIPARPTNFGRM2NPC1RAB9A
SCHEMBL26793446 0.86 TIPARP (0.49) TIPARPTNFGRM2NPC1RAB9A
SCHEMBL26787804 0.85 TIPARP (0.44) 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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