SCHEMBL9201355

SCHEMBL9201355

[NH]c1c([N+](=O)[O-])cc(Br)c2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
ALDH1A1 P00352 10/20 0.52
MEN1 O00255 10/20 0.52
KMT2A Q03164 10/20 0.52
KDM4E B2RXH2 7/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
CTSB P07858 3/20 0.52
IDO1 P14902 2/20 0.52
TDO2 P48775 2/20 0.52
GAA P10253 2/20 0.52
PDE10A Q9Y233 1/20 0.50
TDP1 Q9NUW8 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 4/20 0.49
HSP90AA1 P07900 4/20 0.49
OPRK1 P41145 2/20 0.49
CASP6 P55212 2/20 0.49
NPC1 O15118 1/20 0.49
BRD4 O60885 1/20 0.49

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
SCHEMBL18979856 0.85 MAPT (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9201362 0.84 CTSB (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27190087 0.82 KDM4E (0.78) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL24715786 0.79 MAPT (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL18979720 0.79 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5188552 0.78 MAPT (0.67) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29777337 0.78 MAPT (0.67) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11817825 0.77 CTSB (0.63) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10520193 0.77 KDM4E (0.78) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31731538 0.75 MAPT (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP claimed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO claimed