SCHEMBL3375112

SCHEMBL3375112

Cc1noc(-c2cc3cc(-c4[nH]c(C(=O)O)nc4C)ccc3[nH]2)n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.51

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
SCHEMBL7912960 0.90 MMP13 (0.50) MMP13
SCHEMBL7912973 0.86 MMP13 (0.59) MMP13
SCHEMBL3378229 0.85 MMP13 (0.68) MMP13
SCHEMBL7921321 0.84 MMP13 (0.64) MMP13
SCHEMBL3372699 0.83 MMP13 (0.56) MMP13
SCHEMBL7920029 0.79 MMP13 (0.61) MMP13
SCHEMBL3379304 0.79 MMP13 (0.52) MMP13
SCHEMBL1313838 0.79 MMP13 (0.64) MMP13
SCHEMBL1316190 0.78 MMP13 (0.59) MMP13
SCHEMBL1313714 0.76

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
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
WO-2010045188-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 WO disclosed