SCHEMBL6426196

SCHEMBL6426196

COc1ccc(CC#Cc2ccc3ncn(Cc4ccc(F)c(F)c4)c(=O)c3c2)cc1.O=c1c2cc(C#CCOc3ccncc3)ccc2ncn1Cc1ccc(F)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.63
PDPK1 O15530 11/20 0.53

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
SCHEMBL5696853 0.93 MMP13 (0.73) MMP13PDPK1
SCHEMBL5697122 0.93 MMP13 (0.56) MMP13PDPK1
SCHEMBL5696937 0.87 MMP13 (0.78) MMP13PDPK1
SCHEMBL6298027 0.82 MMP13 (0.81) MMP13PDPK1
SCHEMBL6302720 0.78 MMP13 (0.74) MMP13
SCHEMBL5696924 0.78 MMP13 (0.86) MMP13
SCHEMBL5696784 0.78 MMP13 (1.00) MMP13
SCHEMBL5697278 0.75 MMP13 (0.79) MMP13PDPK1
SCHEMBL6302790 0.74 MMP13 (0.69) MMP13PDPK1
SCHEMBL6297360 0.73 MMP13 (0.85) MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP claimed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO claimed