SCHEMBL5263799

SCHEMBL5263799

Cc1cc(N2CC(C)(NC(=O)Oc3ccc(Br)s3)CC2=O)ccc1N1CCOCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.36
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5266197 0.90 F10 (0.37) F10ALDH1A1KMT2ACYP2C9HPGD
SCHEMBL5271051 0.88 F10 (0.41) F10KDM4EALDH1A1KMT2ACYP2C9
SCHEMBL4509766 0.87 F10 (0.45) F10KMT2ACYP2C9
SCHEMBL5267728 0.83 F10 (0.46) F10
SCHEMBL5265157 0.82 F10 (0.45) F10CYP2C9
SCHEMBL5314273 0.82 F10 (0.42) F10CYP2C9
SCHEMBL5265451 0.81 F10 (0.48) F10CYP2C9
SCHEMBL5270690 0.80 POLB (0.40) F10KMT2A
SCHEMBL4507911 0.80 F10 (0.53) F10CYP2C9
SCHEMBL5269982 0.79 F10 (0.43) F10CYP2C9

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