SCHEMBL25898051

SCHEMBL25898051

CCCCCn1ccc2cc(-c3ccc(C#N)cn3)cc(F)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GRM2 Q14416 15/20 0.44
▸ KDM1A O60341 2/20 0.37
▸ 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
SCHEMBL25898067 0.87 GRM2 (0.47) ALDH1A1GRM2GLO1
SCHEMBL25898581 0.83 GRM2 (0.44) KDM4EHTTGRM2GLO1
SCHEMBL25898569 0.79 GRM2 (0.41) KDM4EHTTGRM2GLO1
SCHEMBL25322091 0.77 TIPARP (0.53) —
SCHEMBL25322085 0.77 TIPARP (0.53) —
SCHEMBL30550893 0.77 TIPARP (0.53) —
SCHEMBL25898732 0.76 GRM2 (0.51) GRM2
SCHEMBL25897776 0.75 GRM2 (0.46) KDM4EHTTGRM2GLO1
SCHEMBL26785843 0.75 KDM4E (0.40) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL25898159 0.73 TIPARP (0.43) GRM2

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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