SCHEMBL5314536

SCHEMBL5314536

Cc1cc(N2CC(NC(=O)Oc3ccc(Br)s3)CC2=O)ccc1N1CCOCC1=S

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.40
POLB P06746 4/20 0.39
LMNA P02545 3/20 0.39
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5266476 0.93 F10 (0.46) F10POLBLMNANCOA1NCOA3
SCHEMBL5270690 0.89 POLB (0.40) F10POLBLMNANCOA1NCOA3
SCHEMBL4503977 0.87 F10 (0.49) F10POLBLMNATP53
SCHEMBL5264920 0.85 F10 (0.44) F10POLBLMNANCOA1NCOA3
SCHEMBL5266888 0.83 F10 (0.47) F10
SCHEMBL5266535 0.82 LMNA (0.41) POLBLMNANCOA1NCOA3TP53
SCHEMBL5266875 0.82 POLB (0.41) F10POLBLMNANCOA1NCOA3
SCHEMBL2767390 0.82 POLB (0.42) POLBLMNANCOA1NCOA3TP53
SCHEMBL2766694 0.81 F10 (0.47) F10POLBLMNANCOA1NCOA3
SCHEMBL5266415 0.81 F10 (0.41) F10POLBLMNANCOA1NCOA3

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