SCHEMBL7412299

SCHEMBL7412299

CNc1cccc(C2Sc3ccccc3N(CCCCC[C@]3(C)CCC[C@H](C)N3)C2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.34
HDAC4 P56524 6/20 0.34
HDAC1 Q13547 6/20 0.34
HDAC7 Q8WUI4 6/20 0.34
HDAC2 Q92769 6/20 0.34
HDAC10 Q969S8 6/20 0.34
HDAC11 Q96DB2 6/20 0.34
HDAC8 Q9BY41 6/20 0.34
HDAC6 Q9UBN7 6/20 0.34
HDAC9 Q9UKV0 6/20 0.34
HDAC5 Q9UQL6 6/20 0.34
CACNA1C Q13936 1/20 0.33
F10 P00742 7/20 0.33
PLG P00747 3/20 0.33
PRSS1 P07477 3/20 0.33
GSK3B P49841 3/20 0.32
TP53 P04637 1/20 0.32
CACNA1S Q13698 1/20 0.32
F2 P00734 2/20 0.32
PROC P04070 1/20 0.32

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
SCHEMBL7411988 0.88 F10 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7407496 0.86 F10 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7408430 0.85 F10 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7408558 0.85 F10 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7411701 0.85 F10 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7408226 0.85 F10 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7413908 0.84 F10 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7414357 0.83 F10 (0.50) F10PLGPRSS1F2PROC
SCHEMBL7414194 0.82 CACNA1S (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7115263 0.81 F10 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP claimed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed