SCHEMBL6188633

SCHEMBL6188633

O=C1NC(C#CCc2ccc(C(=O)O)cc2)C(=O)N=C1C#CCn1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.46
TBXAS1 P24557 11/20 0.45
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 3/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL6184723 0.82 MMP13 (0.39) MMP13MEN1LMNAKMT2AKDM4E
SCHEMBL6106895 0.74 MMP13 (0.47) MMP13TBXAS1MEN1LMNAKMT2A
SCHEMBL6105777 0.71 MMP13 (0.51) MMP13TBXAS1MEN1LMNAKMT2A
SCHEMBL6184736 0.70 NAMPT (0.42) MMP13MEN1LMNAKMT2AALDH1A1
SCHEMBL6104600 0.69 TBXAS1 (0.44) MMP13TBXAS1MEN1LMNAKMT2A
SCHEMBL6105905 0.68 TBXAS1 (0.47) MMP13TBXAS1MEN1LMNAKMT2A
SCHEMBL6104759 0.65 TBXAS1 (0.44) MMP13TBXAS1MEN1LMNAKMT2A
SCHEMBL4492287 0.65 CYP19A1 (0.75) TBXAS1MEN1LMNAKMT2ACYP19A1
SCHEMBL5697294 0.64 MMP13 (0.77) MMP13TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL9853939 0.64 CYP19A1 (0.73) TBXAS1MEN1LMNAKMT2ACYP19A1

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-1537098-A1 MONOCYCLIC DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-08 EP disclosed
WO-2004014892-A1 MONOCYCLIC DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed