SCHEMBL8472152

SCHEMBL8472152

O=C1N=c2cc([N+](=O)[O-])c3ncccc3c2=NC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.50
ALDH1A1 P00352 11/20 0.50
MEN1 O00255 10/20 0.50
KMT2A Q03164 10/20 0.50
KDM4E B2RXH2 7/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
LMNA P02545 4/20 0.50
CTSB P07858 2/20 0.50
IDO1 P14902 2/20 0.50
TDO2 P48775 2/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 3/20 0.47
HSP90AA1 P07900 3/20 0.47
OPRK1 P41145 2/20 0.47
CASP6 P55212 2/20 0.47
NPC1 O15118 1/20 0.47
BRD4 O60885 1/20 0.47
CHRM1 P11229 1/20 0.47

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
SCHEMBL7960630 0.72 MAPT (0.79) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL222006 0.71 KMT2A (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11973087 0.71 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11973643 0.71 MEN1 (0.63) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30901429 0.71 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL157744 0.69 CYP3A4 (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9386650 0.69 HPRT1 (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11973053 0.69 MEN1 (0.60) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11972798 0.69 MAPT (0.62) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL14573268 0.69 MEN1 (0.60) MAPTALDH1A1MEN1KMT2AKDM4E

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
US-5968928-A Excitatory amino acid antagonists: fused-azacyclic quinoxalinediones and immunoassays thereof WARNER-LAMBERT COMPANY (US) 1999-10-19 US disclosed