SCHEMBL2767435

SCHEMBL2767435

Cc1cc(N2C[C@H](NC(=O)Oc3ccc(Br)s3)CC2=O)ccc1S(=O)(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.48
POLB P06746 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2767400 0.88 LMNA (0.46) LMNAPOLBMAPTTP53ALDH1A1
SCHEMBL3284662 0.86 LMNA (0.54) LMNAPOLBMAPTTP53ALDH1A1
SCHEMBL13326796 0.86 LMNA (0.54) LMNAPOLBMAPTTP53ALDH1A1
SCHEMBL2766124 0.84 LMNA (0.44) LMNAPOLBMAPTTP53KDM4E
SCHEMBL2765569 0.83 LMNA (0.46) LMNAPOLBMAPTTP53KDM4E
SCHEMBL2767137 0.83 LMNA (0.46) LMNAPOLBMAPTTP53KDM4E
SCHEMBL2766335 0.80 LMNA (0.45) LMNAPOLBMAPTTP53ALDH1A1
SCHEMBL2767397 0.79 LMNA (0.44) LMNAPOLBMAPTTP53
SCHEMBL2767344 0.79 POLB (0.41) LMNAPOLBMAPTTP53ALDH1A1
SCHEMBL2765159 0.79 POLB (0.41) LMNAPOLBMAPTTP53ALDH1A1

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