SCHEMBL25898617

SCHEMBL25898617

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.41
▸ GRM2 Q14416 5/20 0.39
▸ TNF P01375 5/20 0.36
▸ PTGES O14684 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.34
▸ MAT2A P31153 1/20 0.33

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
SCHEMBL25898605 0.89 TIPARP (0.49) TIPARPGRM2TNF
SCHEMBL25898407 0.88 TIPARP (0.48) TIPARPGRM2TNF
SCHEMBL25898373 0.85 NPC1 (0.40) TIPARPGRM2TNF
SCHEMBL25898823 0.85 GRM2 (0.37) GRM2PTGESPDE10AMAT2A
SCHEMBL25897799 0.82 TIPARP (0.41) TIPARPGRM2TNFPTGES
SCHEMBL25899760 0.80 TIPARP (0.41) TIPARPGRM2TNF
SCHEMBL25898347 0.79 BRD4 (0.40) TIPARPGRM2TNF
SCHEMBL25898123 0.79 GRM2 (0.43) TIPARPGRM2TNF
SCHEMBL26786720 0.79 TIPARP (0.44) TIPARPGRM2TNF
SCHEMBL25322527 0.79 TIPARP (0.67) TIPARP

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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