SCHEMBL6813767

SCHEMBL6813767

CC(c1ccc(C(=O)O)cc1)N1Cc2sc(C#CCc3ccc(F)cc3)cc2NC1=O.O=c1c2oc(C#CCc3ccccc3)nc2ncn1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.39
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SLC22A8 Q8TCC7 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
SCHEMBL6694916 0.82 PTGER4 (0.36)
SCHEMBL6813762 0.81 MMP13 (0.41) MMP13LMNASMN1; SMN2SLC22A8
SCHEMBL6696589 0.76 MMP13 (0.56) MMP13LMNAHPGDSMN1; SMN2
SCHEMBL6289361 0.67 MAPK1 (0.38) MMP13SLC22A8
SCHEMBL6694969 0.65 MAPK1 (0.38) MMP13SLC22A8
SCHEMBL6698262 0.65 MMP13 (0.57) MMP13SLC22A8
SCHEMBL6706893 0.64 MAPK1 (0.45) MMP13SLC22A8
SCHEMBL6703411 0.63 MMP13 (0.56) MMP13LMNASMN1; SMN2
SCHEMBL6912473 0.63 MMP13 (0.38) MMP13SLC22A8
SCHEMBL6701193 0.61 MMP13 (0.64) MMP13LMNASMN1; SMN2

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