SCHEMBL2908237

SCHEMBL2908237

Cc1ccccc1Cn1c(-c2ccccc2OCC(N)=O)nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.58
LMNA P02545 4/20 0.58
KDM4E B2RXH2 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
NPC1 O15118 1/20 0.51
GALR3 O60755 1/20 0.51
NR2F2 P24468 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 4/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
NPY1R P25929 1/20 0.50
MAPK1 P28482 1/20 0.50
NPY2R P49146 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL639847 0.89 KDM4E (0.50) HTTLMNAKDM4ENPSR1SMN1; SMN2
SCHEMBL641038 0.86 KDM4E (0.56) HTTLMNAKDM4ENPSR1SMN1; SMN2
SCHEMBL2906933 0.85 NPSR1 (0.53) HTTLMNAKDM4ENPSR1SMN1; SMN2
SCHEMBL2909757 0.82 KCNN4 (0.47) HTTLMNAKDM4ENPSR1SMN1; SMN2
SCHEMBL2907639 0.80 PLA2G2A (0.44) HTTLMNAKDM4ENPSR1SMN1; SMN2
SCHEMBL2901560 0.80 NPSR1 (0.42) HTTLMNAKDM4ENPSR1NPC1
SCHEMBL2905631 0.79 LMNA (0.51) HTTLMNAKDM4ENPSR1TSHR
SCHEMBL638972 0.79 BRD4 (0.41) HTTLMNAKDM4ENPSR1MEN1
SCHEMBL2910004 0.79 ALDH1A1 (0.45) HTTLMNAKDM4ENPSR1SMN1; SMN2
SCHEMBL2901565 0.79 L3MBTL1 (0.40) L3MBTL1PLA2G2A

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-2121627-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
EP-2121627-A1 BENZIMIDAZOLE DERIVATIVES Merck Patent GmbH (DE) 2009-11-25 EP claimed
WO-2008101586-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-08-28 WO claimed