SCHEMBL4762154

SCHEMBL4762154

O=[N+]([O-])c1cnc2cccnc2c1NCC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
ATM Q13315 1/20 0.43
ATR Q13535 1/20 0.43
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PRKCQ Q04759 10/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
DCLK1 O15075 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PIM1 P11309 1/20 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
SCHEMBL2744399 0.84 KCNH2 (0.44) KCNH2ATMATRMAPTPOLB
SCHEMBL1140827 0.80 MAPT (0.39) KCNH2MAPTPOLBMCL1SMN1; SMN2
SCHEMBL13914462 0.78 MAPT (0.47) KCNH2MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL13914461 0.78 PDE10A (0.43) KCNH2MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL25262335 0.78 KCNH2 (0.37) KCNH2ATMATRCYP2C9PRKCQ
SCHEMBL31025949 0.78 KCNH2 (0.37) KCNH2ATMATRCYP2C9PRKCQ
SCHEMBL12744372 0.76 MAPT (0.46) MAPTPOLBSMN1; SMN2L3MBTL1PDE10A
SCHEMBL2749823 0.76 MAPT (0.57) KCNH2MAPTPOLBSMN1; SMN2CYP2C9
SCHEMBL2113586 0.76 PTGES (0.41) KCNH2ATMATRPRKCQ
SCHEMBL191477 0.75 MAPT (0.48) KCNH2MAPTPOLBSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968587-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS Coley Pharmaceutical, Inc. (US) 2008-09-17 EP disclosed
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 WO disclosed