SCHEMBL6321017

SCHEMBL6321017

COc1ccc2sc3c(c2c1)NC[C@@H](C(C)C)NC3=O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 19/20 0.73
CDK1 P06493 18/20 0.73
PRKD1 Q15139 2/20 0.48

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
SCHEMBL6311973 1.00 MAPKAPK2 (0.73) MAPKAPK2CDK1PRKD1
SCHEMBL6313111 1.00 MAPKAPK2 (0.73) MAPKAPK2CDK1PRKD1
SCHEMBL6314186 0.91 MAPKAPK2 (0.64) MAPKAPK2CDK1PRKD1
SCHEMBL6319420 0.91 MAPKAPK2 (0.64) MAPKAPK2CDK1PRKD1
SCHEMBL6311137 0.85 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6314208 0.85 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6311690 0.85 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL17748417 0.81 MAPKAPK2 (1.00) MAPKAPK2CDK1PRKD1
SCHEMBL6311739 0.78 MAPKAPK2 (0.79) MAPKAPK2CDK1PRKD1
SCHEMBL6311831 0.78 MAPKAPK2 (0.79) MAPKAPK2CDK1PRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1584323-A1 Use of N-hydroxyalkyl-O-benzylchitosans in hair treatment Wella Aktiengesellschaft (DE) 2005-10-12 EP disclosed
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 US disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed