SCHEMBL5310322

SCHEMBL5310322

Cc1[nH]c(C(=O)O)nc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
PIN1 Q13526 1/20 0.37
RAB9A P51151 1/20 0.35
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTPRB P23467 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
HTT P42858 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL5310538 0.81 MAPT (0.40) LMNAMAPTALDH1A1POLBMEN1
SCHEMBL5308123 0.80 GALR3 (0.32) MAPT
SCHEMBL667466 0.79 LMNA (0.38) LMNAPIN1MAPTKMT2AKDM4E
SCHEMBL4021899 0.78 ALDH1A1 (0.49) RAB9AMAPTALDH1A1POLBKDM4E
SCHEMBL5310539 0.77 LMNA (0.34) LMNAPIN1MAPTKMT2AKDM4E
SCHEMBL64089 0.76 MAPT (0.35) MAPTALDH1A1POLBKMT2AKDM4E
SCHEMBL4021901 0.75 KDM4E (0.34) LMNAMAPTALDH1A1KDM4E
SCHEMBL7051362 0.74 LMNA (0.34) LMNAPIN1RAB9AMAPTALDH1A1
SCHEMBL3318225 0.71 LMNA (0.45) LMNAPIN1ALDH1A1PKMKDM4E
SCHEMBL13909523 0.71 MAPT (0.36) LMNARAB9AMAPTALDH1A1POLB

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
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed
EP-0885189-A2 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-12-23 EP disclosed
WO-1997030975-A2 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-08-28 WO disclosed