SCHEMBL13632185

SCHEMBL13632185

O=C(N[C@@H]1CC(=O)N(c2ccc(N3CCCCS3(=O)=O)cc2)C1)c1ccc(Br)s1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TP53 P04637 2/20 0.50
F10 P00742 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ENPP2 Q13822 7/20 0.43

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
SCHEMBL13632184 0.89 F10 (0.59) LMNATP53F10ENPP2
SCHEMBL13632186 0.87 LMNA (0.46) LMNATP53F10ENPP2
SCHEMBL13632176 0.85 TP53 (0.45) LMNATP53F10TDP1ALDH1A1
SCHEMBL4505693 0.83 F10 (0.61) LMNATP53F10ALDH1A1HPGD
SCHEMBL4510420 0.82 F10 (0.52) LMNATP53F10ALDH1A1HPGD
SCHEMBL3285554 0.82 LMNA (0.50) LMNATP53F10ALDH1A1HPGD
SCHEMBL4509586 0.79 LMNA (0.49) LMNATP53F10ALDH1A1HPGD
SCHEMBL4504656 0.78 F10 (0.64) LMNATP53F10TDP1ALDH1A1
SCHEMBL4492429 0.77 LMNA (0.50) LMNATP53F10ALDH1A1HPGD
SCHEMBL4508917 0.77 F10 (0.53) LMNATP53F10TDP1ALDH1A1

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
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed