SCHEMBL25898605

SCHEMBL25898605

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.49
▸ GRM2 Q14416 5/20 0.38
▸ TNF P01375 6/20 0.37
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL25898617 0.89 TIPARP (0.41) TIPARPGRM2TNF
SCHEMBL25898391 0.87 TIPARP (0.46) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25898816 0.85 GRM2 (0.38) TIPARPGRM2
SCHEMBL25908352 0.84 TIPARP (0.49) TIPARPGRM2TNF
SCHEMBL25897832 0.83 TIPARP (0.49) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25898159 0.82 TIPARP (0.43) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25899282 0.82 TIPARP (0.43) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25898542 0.82 TIPARP (0.48) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25899151 0.82 TIPARP (0.46) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25899897 0.81 TIPARP (0.51) TIPARPGRM2TNFHDAC3HDAC1

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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