SCHEMBL7411530

SCHEMBL7411530

CC1CCCC(C)(CCCCCN2C(=O)C(CC3CCCC(C(=N)N)C3)Sc3ccccc32)N1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.34
F2 P00734 6/20 0.34
PRSS1 P07477 6/20 0.34
PLG P00747 3/20 0.33
PROC P04070 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL7413490 0.96 TSHR (0.33) F10F2PRSS1PLGPROC
SCHEMBL7414265 0.87 F10 (0.34) F10F2PRSS1PLGPROC
SCHEMBL7413979 0.85 TSHR (0.33) F10F2PRSS1TSHRL3MBTL1
SCHEMBL7516860 0.85 F10 (0.42) F10F2PRSS1PLGPROC
SCHEMBL7113676 0.83 F10 (0.49) F10F2PRSS1PLGPROC
SCHEMBL7410177 0.81 F10 (0.41) F10F2PRSS1PLGPROC
SCHEMBL7411813 0.81 F10 (0.36) F10F2PRSS1PLGPROC
SCHEMBL7126545 0.80 F10 (0.49) F10F2PRSS1PLGPROC
SCHEMBL7408657 0.80 F10 (0.35) F10F2PRSS1PLGPROC
SCHEMBL7411598 0.79 F10 (0.43) 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-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