SCHEMBL2319785

SCHEMBL2319785

Cc1[nH]nc([C]=O)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
DHODH Q02127 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
APOBEC3G Q9HC16 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOTUM Q6P988 1/20 0.42
SLC11A2 P49281 1/20 0.41
AR P10275 1/20 0.41
XDH P47989 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7529478 0.81 KDM4E (0.57) KDM4EALDH1A1TDP1DHODHMEN1
SCHEMBL22126016 0.79 IKBKB (0.59) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL8493201 0.72 TDP1 (0.50) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL22126040 0.70 TDP1 (0.48) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL5065616 0.68 MAPT (0.52) MEN1KMT2AMAPTGAAHTT
SCHEMBL22125938 0.68 MEN1 (0.46) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL3954857 0.67 XDH (0.54) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL8493831 0.67 MAPT (0.45) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL4709696 0.66 TYMP (0.53) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL20915705 0.66 XDH (0.49) KDM4EALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed