SCHEMBL25898581

SCHEMBL25898581

CCCCCn1ccc2cc(-c3ccc(SC)cn3)cc(F)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 18/20 0.44
▸ GLO1 Q04760 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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 0.88 GRM2 (0.47) GRM2GLO1
SCHEMBL25898051 0.83 KDM4E (0.44) GRM2GLO1KDM4EHTT
SCHEMBL25898569 0.80 GRM2 (0.41) GRM2GLO1KDM4ELMNAMAPT
SCHEMBL25898732 0.77 GRM2 (0.51) GRM2
SCHEMBL25897776 0.76 GRM2 (0.46) GRM2GLO1KDM4ELMNAMAPT
SCHEMBL26786770 0.69 GRM2 (0.37) GRM2GLO1KDM4ELMNAMAPT
SCHEMBL25898769 0.69 GRM2 (0.40) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25898806 0.69 LMNA (0.40) GRM2GLO1KDM4ELMNAMAPT
SCHEMBL25320933 0.68 GRM2 (0.35) GRM2
SCHEMBL25320929 0.68 GRM2 (0.35) 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
Send feedback