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SCHEMBL6814487

SCHEMBL6814487

O=C(NCc1ccccc1)c1nc2c(=O)n(Cc3ccc(F)cc3)cnc2o1.O=C(O)c1ccc(Cn2cnc3oc(C(=O)NCc4ccccc4)nc3c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 13/20 0.56
▸ PTGER4 P35408 2/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ IDO1 P14902 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44

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
SCHEMBL6700076 0.95 MMP13 (0.57) MMP13PTGER4SLC22A8
SCHEMBL6703992 0.95 CNR2 (0.52) MMP13CNR2IDO1LMNAKDM4E
SCHEMBL6698574 0.82 LMNA (0.48) MMP13LMNAKDM4EALDH1A1HPGD
SCHEMBL6703316 0.81 CNR2 (0.52) MMP13CNR2IDO1LMNAKDM4E
SCHEMBL6703507 0.78 MMP13 (0.56) MMP13CNR2IDO1LMNAKDM4E
SCHEMBL6702032 0.78 MMP13 (0.66) MMP13PTGER4SLC22A8
SCHEMBL6704257 0.77 MMP13 (0.57) MMP13PTGER4SLC22A8
SCHEMBL6704350 0.76 MMP13 (0.58) MMP13PTGER4CNR2IDO1HPGD
SCHEMBL6698919 0.76 CNR2 (0.53) MMP13CNR2IDO1LMNAKDM4E
SCHEMBL6698262 0.74 MMP13 (0.57) MMP13SLC22A8

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