SCHEMBL13376563

SCHEMBL13376563

Bc1ccc(C(=O)NC2CC(=O)N(c3ccc(C(=O)N4CCCN(C)CC4)c(C)c3)C2)s1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
LMNA P02545 5/20 0.42
POLB P06746 1/20 0.42
ENPP2 Q13822 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13376532 0.97 TP53 (0.47) TP53LMNAPOLBENPP2KDM4E
SCHEMBL13376528 0.93 TP53 (0.48) TP53LMNAPOLBENPP2
SCHEMBL13376501 0.93 TP53 (0.47) TP53LMNAPOLBENPP2
SCHEMBL3287749 0.90 TP53 (0.44) TP53LMNAPOLBENPP2
SCHEMBL13376520 0.88 TP53 (0.44) TP53LMNAPOLBENPP2
SCHEMBL13376497 0.88 TP53 (0.46) TP53LMNAPOLBENPP2MAPT
SCHEMBL13376495 0.88 TP53 (0.46) TP53LMNAPOLBENPP2
SCHEMBL13376548 0.87 TP53 (0.45) TP53LMNAPOLBENPP2MAPT
SCHEMBL3285184 0.87 TP53 (0.47) TP53LMNAPOLBENPP2
SCHEMBL13376526 0.86 TP53 (0.44) TP53LMNAPOLBENPP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858890-B1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2010-04-14 EP disclosed