SCHEMBL2567760

SCHEMBL2567760

COC(=O)OC1(NC(=O)c2ccc(Cl)s2)CC(O)C(O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPK1 P28482 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CASP1 P29466 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38
CASP7 P55210 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 3/20 0.37

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
SCHEMBL2566849 0.88 SMN1; SMN2 (0.41) POLBKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL2572218 0.85 POLB (0.44) POLBKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL3028244 0.80 KMT2A (0.42) POLBKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL2570052 0.75 DAO (0.40) POLBKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL2569473 0.74 KMT2A (0.41) POLBKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL3033503 0.70 KMT2A (0.40) POLBKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL5502029 0.69 CTSL (0.50) POLBKMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL3027840 0.69 KMT2A (0.44) POLBKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL13754450 0.67 SMN1; SMN2 (0.59) POLBKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL2566643 0.67 SMN1; SMN2 (0.40) POLBKMT2ASMN1; SMN2MAPK1LMNA

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