SCHEMBL7412407

SCHEMBL7412407

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(c3ccc(C(=N)N)s3)Sc3ccccc32)N1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.35
F2 P00734 6/20 0.35
PRSS1 P07477 6/20 0.35
PLG P00747 4/20 0.34
PROC P04070 1/20 0.34
GSK3B P49841 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
CACNA1S Q13698 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
SCHEMBL7411813 0.86 F10 (0.36) F10F2PRSS1PLGPROC
SCHEMBL7408558 0.85 F10 (0.48) F10F2PRSS1PLGPROC
SCHEMBL7412543 0.85 F10 (0.36) F10F2PRSS1PLGPROC
SCHEMBL7408430 0.85 F10 (0.48) F10F2PRSS1PLGPROC
SCHEMBL7417433 0.85 F10 (0.49) F10F2PRSS1PLGPROC
SCHEMBL7414004 0.84 F10 (0.34) F10F2PRSS1PLGPROC
SCHEMBL7408226 0.84 F10 (0.47) F10F2PRSS1PLGPROC
SCHEMBL7411273 0.83 F10 (0.33) F10F2PRSS1PLGPROC
SCHEMBL7120036 0.81 F10 (0.53) F10F2PRSS1PLGPROC
SCHEMBL7407496 0.81 F10 (0.39) F10F2PRSS1PLGPROC

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-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP claimed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO claimed