SCHEMBL2566809

SCHEMBL2566809

COC1CN(C)CCc2cc(NC(=O)OC3(NC(=O)c4ccc(Cl)s4)CCOC3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
WDR91 A4D1P6 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2567240 0.96 F10 (0.35) F10KMT2ALMNAMAPK1WDR91
SCHEMBL2568594 0.91 F10 (0.35) F10KMT2ALMNAMAPK1WDR91
SCHEMBL2571399 0.91 F10 (0.35) F10KMT2ALMNAMAPK1WDR91
SCHEMBL2570115 0.88 F10 (0.35) F10KMT2ALMNAMAPK1WDR91
SCHEMBL2572138 0.88 MET (0.38) F10KMT2ALMNAMAPK1WDR91
SCHEMBL2568491 0.88 WDR91 (0.40) F10KMT2ALMNAMAPK1WDR91
SCHEMBL3378505 0.88 F10 (0.35) F10KMT2ALMNAMAPK1WDR91
SCHEMBL3023610 0.87 KMT2A (0.36) F10KMT2ALMNAMAPK1WDR91
SCHEMBL3039270 0.84 KMT2A (0.36) F10KMT2ALMNAMAPK1WDR91
SCHEMBL2571235 0.83 WDR91 (0.38) F10KMT2ALMNAMAPK1WDR91

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-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed