SCHEMBL3379487

SCHEMBL3379487

CN1CCc2ccc(NC(=O)OC3(NC(=O)c4ccc(Cl)s4)CCOC3)cc2C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
F10 P00742 16/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2571235 0.94 WDR91 (0.38) WDR91KDM4ENPSR1RXFP1F10
SCHEMBL2568491 0.91 WDR91 (0.40) WDR91F10KMT2ALMNAMAPK1
SCHEMBL2571140 0.86 KMT2A (0.41) WDR91KDM4ENPSR1RXFP1F10
SCHEMBL3017351 0.86 WDR91 (0.40) WDR91KDM4ENPSR1RXFP1F10
SCHEMBL2569492 0.84 F10 (0.35) WDR91F10KMT2ALMNAMAPK1
SCHEMBL2572138 0.84 MET (0.38) WDR91F10KMT2ALMNAMAPK1
SCHEMBL2570115 0.84 F10 (0.35) WDR91F10KMT2ALMNAMAPK1
SCHEMBL3378505 0.84 F10 (0.35) WDR91F10KMT2ALMNAMAPK1
SCHEMBL2567240 0.84 F10 (0.35) WDR91F10KMT2ALMNAMAPK1
SCHEMBL2568594 0.83 F10 (0.35) WDR91F10KMT2ALMNAMAPK1

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-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed