SCHEMBL25899151

SCHEMBL25899151

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.46
▸ GRM2 Q14416 4/20 0.41
▸ TNF P01375 5/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35

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 0.90 TIPARP (0.49) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25898542 0.89 TIPARP (0.48) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25898391 0.88 TIPARP (0.46) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL26787804 0.88 TIPARP (0.44) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL26793446 0.87 TIPARP (0.49) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25899141 0.85 TIPARP (0.47) TIPARPTNF
SCHEMBL25898159 0.83 TIPARP (0.43) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25899282 0.83 TIPARP (0.43) TIPARPGRM2TNFHDAC3HDAC1
SCHEMBL25900117 0.83 TIPARP (0.46) TIPARPGRM2TNFLMNASMN1; SMN2
SCHEMBL25899897 0.82 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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