SCHEMBL2566643

SCHEMBL2566643

O=C(O)OC1(NC(=O)c2ccc(Cl)s2)CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
DAO P14920 1/20 0.39
KMT2A Q03164 7/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 6/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TP53 P04637 1/20 0.36
F2 P00734 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL2569570 0.85 HTT (0.45) SMN1; SMN2DAOKMT2AMEN1ALDH1A1
SCHEMBL2569889 0.83 HPGD (0.36) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL2570052 0.79 DAO (0.40) SMN1; SMN2DAOKMT2AMEN1ALDH1A1
SCHEMBL2566642 0.79 HPGD (0.42) SMN1; SMN2DAOKMT2AMEN1ALDH1A1
SCHEMBL14477387 0.79 HPGD (0.42) SMN1; SMN2DAOKMT2AMEN1ALDH1A1
SCHEMBL3774208 0.79 HPGD (0.42) SMN1; SMN2DAOKMT2AMEN1ALDH1A1
SCHEMBL13012380 0.76 KMT2A (0.42) SMN1; SMN2DAOKMT2AMEN1ALDH1A1
SCHEMBL13012386 0.76 KMT2A (0.42) SMN1; SMN2DAOKMT2AMEN1ALDH1A1
SCHEMBL2568491 0.75 WDR91 (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL2571565 0.73 LMNA (0.34) SMN1; SMN2KMT2AALDH1A1HPGDLMNA

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 4 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
EP-1899330-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT Boehringer Ingelheim International GmbH (DE) 2008-03-19 EP disclosed
WO-2007003536-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed