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SCHEMBL6813762

SCHEMBL6813762

CN1C(=O)N(Cc2ccc(C(=O)O)cc2)Cc2sc(C#CCc3ccc(F)cc3)cc21.O=c1c2oc(C#CCc3ccccc3)nc2ncn1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 13/20 0.41
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SCD O00767 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL6694914 0.83 MMP13 (0.39) MMP13SLC22A8SMN1; SMN2SCDRXFP1
SCHEMBL6292726 0.81 MMP13 (0.46) MMP13SLC22A8SMN1; SMN2KDM4EALDH1A1
SCHEMBL6813767 0.81 MMP13 (0.39) MMP13SLC22A8SMN1; SMN2LMNA
SCHEMBL6696589 0.78 MMP13 (0.56) MMP13SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL6699862 0.71 MMP13 (0.36) MMP13SLC22A8KDM4ESCD
SCHEMBL6701922 0.71 SCD (0.36) MMP13SLC22A8LMNAKDM4ESCD
SCHEMBL6920079 0.70 MMP13 (0.38) MMP13SLC22A8SMN1; SMN2LMNAALDH1A1
SCHEMBL6289326 0.69 MMP13 (0.43) MMP13SLC22A8SCD
SCHEMBL6703290 0.69 MMP13 (0.43) MMP13SLC22A8
SCHEMBL6289349 0.68 SCD (0.38) MMP13SMN1; SMN2LMNAKDM4EALDH1A1

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-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 — — WO disclosed