SCHEMBL6826657

SCHEMBL6826657

CN1CC(Cc2ccc(F)c(F)c2)=Cc2nc(C#CCc3ccccc3)sc21

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6700606 0.72 CLPP (0.38)
SCHEMBL6288793 0.70 ALDH1A1 (0.33) MAPT
SCHEMBL6292115 0.69 MMP13 (0.36)
SCHEMBL6288773 0.68 S1PR1 (0.44)
SCHEMBL6703987 0.67 CLPP (0.37)
SCHEMBL6702169 0.65 MMP13 (0.41) LMNAMAPT
SCHEMBL6698925 0.65 MAPK1 (0.35)
SCHEMBL6700135 0.64 MAPK1 (0.35)
SCHEMBL6289365 0.63 ADRA1A (0.34)
SCHEMBL6704262 0.62 P2RX7 (0.36) MAPT

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-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed