SCHEMBL4653497

SCHEMBL4653497

O=[N+]([O-])c1cnc2ccccc2c1NC(CO)Cc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.37
NEK1 Q96PY6 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 3/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
BDKRB1 P46663 1/20 0.35
CNR1 P21554 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL1774380 1.00 MAPT (0.52) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22774649 0.87 BDKRB1 (0.38) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22774647 0.87 BDKRB1 (0.38) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22734425 0.86 MAPT (0.37) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22734424 0.86 MAPT (0.37) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL30810261 0.86 MAPT (0.37) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6106517 0.83 MAPT (0.55) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4654569 0.81 MAPT (0.45) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2512829 0.81 MAPT (0.45) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22774369 0.79 MEN1 (0.44) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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