SCHEMBL598669

SCHEMBL598669

Cc1cccc(C(=O)NC(C)c2nc3cc(Cl)ccc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNK3 O14649 2/20 0.44
KCNK9 Q9NPC2 1/20 0.44
ATM Q13315 1/20 0.44
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR3 Q99500 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PRCP P42785 1/20 0.42

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
SCHEMBL6533170 0.89 L3MBTL1 (0.55) LMNAKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL6526024 0.89 L3MBTL1 (0.55) LMNAKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL6528089 0.85 NPSR1 (0.53) LMNAKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL5100806 0.84 L3MBTL1 (0.52) LMNAKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL5096849 0.81 L3MBTL1 (0.50) LMNAKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL5096847 0.81 L3MBTL1 (0.50) LMNAKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL5109895 0.80 L3MBTL1 (0.48) LMNAKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL5100623 0.79 L3MBTL1 (0.48) LMNAKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL5100614 0.79 L3MBTL1 (0.48) LMNAKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL5097012 0.79 L3MBTL1 (0.48) LMNAKDM4EL3MBTL1ALDH1A1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771441-B8 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed
EP-1771441-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-04-11 EP disclosed
WO-2005082895-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-09 WO disclosed