SCHEMBL9054047

SCHEMBL9054047

C1=C(c2ccccc2)Nc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.35
NOX1 Q9Y5S8 2/20 0.32
PDGFRA P16234 1/20 0.31
FER P16591 1/20 0.31
LTK P29376 1/20 0.31
CDK8 P49336 1/20 0.31
ACVR1 Q04771 1/20 0.31
LRRK2 Q5S007 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
GAA P10253 3/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 2/20 0.30
IDO1 P14902 1/20 0.30
ALOX15 P16050 2/20 0.30
BCHE P06276 2/20 0.30

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
SCHEMBL7541231 0.77
SCHEMBL4111483 0.67 NOX1 (0.34) SMN1; SMN2NOX1PDGFRAFERLTK
SCHEMBL14532623 0.67 NOX1 (0.34) SMN1; SMN2ALDH1A1NOX1PDGFRAFER
SCHEMBL624418 0.64 GAA (0.59) SMN1; SMN2ALDH1A1NOX1PDGFRAFER
SCHEMBL76607 0.64
SCHEMBL29369547 0.64 GAA (0.59) SMN1; SMN2ALDH1A1NOX1PDGFRAFER
SCHEMBL2676730 0.64 GAA (0.59) SMN1; SMN2ALDH1A1NOX1PDGFRAFER
Fluoride SCHEMBL6264312 0.61
Water SCHEMBL3526962 0.61
SCHEMBL7171963 0.61 GAA (0.56) SMN1; SMN2ALDH1A1NOX1PDGFRAFER

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-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 WO disclosed