SCHEMBL1677992

SCHEMBL1677992

CC(=O)Nc1ccc(N2CCCCC2=N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 2/20 0.60
GFER P55789 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.50
AVPR1A P37288 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1677937 0.84 GAA (0.64) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1678146 0.80 SMN1; SMN2 (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1378697 0.79 NAMPT (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL975489 0.76 MAPT (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5631461 0.75 F10 (0.61) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6689700 0.74 GFER (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6139947 0.74 RAB9A (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL13545926 0.73 MAPT (0.53) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6140778 0.73 MAPT (0.64) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3868815 0.72 ALDH1A1 (0.48) MEN1KMT2AMAPTKDM4EALDH1A1

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
JP-4668614-B2 2011-04-13 JP claimed
JP-2006500369-A 2006-01-05 JP claimed
EP-1558247-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2005-08-03 EP claimed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 WO claimed