SCHEMBL4654569

SCHEMBL4654569

CCCC(CO)Nc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
POLB P06746 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CACNA2D1 P54289 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TLR8 Q9NR97 6/20 0.40
TLR7 Q9NYK1 3/20 0.40
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL6106517 0.91 MAPT (0.55) MAPTPOLBMEN1KMT2ACACNA2D1
SCHEMBL12020848 0.86 CACNA2D1 (0.39) MAPTPOLBMEN1KMT2ACACNA2D1
SCHEMBL2086455 0.83 MAPT (0.43) MAPTPOLBMEN1KMT2ACACNA2D1
SCHEMBL9386488 0.83 MAPT (0.43) MAPTPOLBMEN1KMT2ACACNA2D1
SCHEMBL22749325 0.82 MAPT (0.37) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL22749326 0.82 MAPT (0.37) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL29508404 0.82 MAPT (0.37) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL1774882 0.81 MAPT (0.42) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL4653497 0.81 MAPT (0.52) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL1774380 0.81 MAPT (0.52) MAPTPOLBMEN1KMT2AKDM4E

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-1831226-A4 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831226-A2 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-12 EP disclosed
WO-2006074003-A2 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed