SCHEMBL5264221

SCHEMBL5264221

CN1CCCN(c2ccc(N3CC(NC(=O)Oc4ccc(Br)s4)CC3=O)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4509586 0.85 LMNA (0.49) TP53LMNAMAPTALDH1A1
SCHEMBL5266162 0.83 F10 (0.42) TP53LMNAMAPTKDM4EPOLB
SCHEMBL2765417 0.82 LMNA (0.42) TP53LMNAMAPTKDM4EPOLB
SCHEMBL5269486 0.81 TP53 (0.40) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL5455298 0.79 ENPP2 (0.40) TP53LMNAMAPTKDM4EPOLB
SCHEMBL2766124 0.78 LMNA (0.44) TP53LMNAMAPTKDM4EPOLB
SCHEMBL2766741 0.77 POLB (0.41) TP53LMNAMAPTKDM4EPOLB
SCHEMBL2767435 0.77 LMNA (0.48) TP53LMNAMAPTKDM4EPOLB
SCHEMBL2767137 0.77 LMNA (0.46) TP53LMNAMAPTKDM4EPOLB
SCHEMBL2765569 0.77 LMNA (0.46) TP53LMNAMAPTKDM4EPOLB

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-1836198-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP disclosed
WO-2006069946-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 WO disclosed