SCHEMBL2909757

SCHEMBL2909757

NC(=O)COc1ccccc1-c1nc2ccccc2n1Cc1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
PLA2G2A P14555 2/20 0.43
MEN1 O00255 3/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPY1R P25929 1/20 0.41
MAPK1 P28482 1/20 0.41
NPY2R P49146 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2907443 0.93 TP53 (0.54) KCNN4KDM4ELMNANPSR1HTT
SCHEMBL639847 0.88 KDM4E (0.50) KDM4ELMNANPSR1HTTKMT2A
SCHEMBL641038 0.85 KDM4E (0.56) KDM4ELMNANPSR1HTTKMT2A
SCHEMBL2906933 0.84 NPSR1 (0.53) KDM4ELMNANPSR1HTTKMT2A
SCHEMBL2907639 0.83 PLA2G2A (0.44) KDM4ELMNANPSR1HTTKMT2A
SCHEMBL2907759 0.83 PLA2G2A (0.43) KCNN4LMNAKMT2AALDH1A1GAA
SCHEMBL2903474 0.83 KMT2A (0.42) KDM4ELMNANPSR1HTTKMT2A
SCHEMBL2908237 0.82 HTT (0.58) KDM4ELMNANPSR1HTTKMT2A
SCHEMBL638972 0.82 BRD4 (0.41) KCNN4KDM4ELMNANPSR1HTT
SCHEMBL638729 0.82 PLA2G2A (0.43) KCNN4KDM4ELMNANPSR1HTT

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