SCHEMBL4685476

SCHEMBL4685476

CC(=O)Oc1ccc(CCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL4275424 0.96 CA1 (0.50) CA1CA2CA12CA9TDP1
SCHEMBL11687632 0.91 NPC1 (0.56) CA1CA2CA12CA9TDP1
SCHEMBL31307113 0.83 TDP1 (0.58) CA1CA2CA12CA9TDP1
SCHEMBL917871 0.83 TDP1 (0.54) CA1CA2CA12CA9TDP1
SCHEMBL31307112 0.83 TDP1 (0.54) CA1CA2CA12CA9TDP1
SCHEMBL4275420 0.83 CA1 (0.48) CA1CA2CA12CA9TDP1
SCHEMBL937704 0.82 TDP1 (0.53) CA1CA2CA12CA9TDP1
SCHEMBL7272921 0.82 TDP1 (0.56) CA1CA2CA12CA9TDP1
SCHEMBL21482939 0.82 TDP1 (0.53) CA1CA2CA12CA9TDP1
SCHEMBL938186 0.82 CA1 (0.55) CA1CA2CA12CA9TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663235-A4 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-11-12 EP disclosed
EP-1663235-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2006-06-07 EP disclosed
WO-2005018644-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2005-03-03 WO disclosed