SCHEMBL6562064

SCHEMBL6562064

CCOC(=O)CCN(c1cc(C)c(C#CCOc2ccc(C(=N)N)cc2)cc1C)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.43
MMP13 P45452 13/20 0.43
MMP9 P14780 11/20 0.43
MMP1 P03956 8/20 0.43
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
LTA4H P09960 2/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL6563711 0.92 ADAM17 (0.47) ADAM17MMP13MMP9MMP1KEAP1
SCHEMBL6565355 0.85 F2 (0.42) LTA4HF2F10
SCHEMBL6563563 0.81 SMN1; SMN2 (0.38) MMP13MMP9MMP1KEAP1NFE2L2
SCHEMBL6565338 0.81 F2 (0.36) LTA4HF2F10
SCHEMBL6563579 0.80 F2 (0.37) F2F10
SCHEMBL6563500 0.79 PLAU (0.40) KEAP1NFE2L2MAPTF2
SCHEMBL6563619 0.76 F2 (0.41) ADAM17MMP13MMP9MMP1F2
SCHEMBL6562325 0.75 PRSS1 (0.36) ADAM17MMP13MMP9MMP1F2
SCHEMBL6563233 0.73 TMPRSS15 (0.38) ADAM17MMP13MMP9MMP1F2
SCHEMBL6565497 0.71 PLAU (0.48) ADAM17MMP13MMP9MMP1F2

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed