SCHEMBL29995352

SCHEMBL29995352

O=C(NNc1ccccn1)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
GAA P10253 3/20 0.61
KDM5A P29375 1/20 0.59
KDM4E B2RXH2 6/20 0.57
HTT P42858 6/20 0.57
TLR7 Q9NYK1 5/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 4/20 0.54
OPRK1 P41145 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
PKM P14618 2/20 0.52
HPGD P15428 1/20 0.51
CDK5 Q00535 1/20 0.51
PAX8 Q06710 1/20 0.51
CDK5R1 Q15078 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL23388826 1.00 SMN1; SMN2 (0.61) SMN1; SMN2GAAKDM5AKDM4EHTT
SCHEMBL1147702 0.85 KDM4E (0.73) SMN1; SMN2KDM5AKDM4EHTTTLR7
SCHEMBL18006549 0.84 GAA (0.50) SMN1; SMN2GAAKDM5AKDM4EHTT
SCHEMBL9384187 0.83 NPC1 (0.72) SMN1; SMN2GAAKDM4EALDH1A1NPC1
SCHEMBL13385745 0.82 GAA (0.66) SMN1; SMN2GAAALDH1A1LMNANPC1
SCHEMBL28871817 0.82 KDM5A (0.63) SMN1; SMN2KDM5AKDM4EHTTTLR7
SCHEMBL376232 0.81 GRM5 (0.78) SMN1; SMN2GAAKDM5AKDM4EHTT
SCHEMBL4411512 0.80 KDM5A (0.60) SMN1; SMN2GAAKDM5AKDM4EHTT
SCHEMBL5523952 0.79 GAA (0.65) SMN1; SMN2GAAKDM4EHTTALDH1A1
SCHEMBL28871785 0.78 TLR7 (0.56) SMN1; SMN2GAAKDM5AKDM4EHTT

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
EP-4061366-A1 INHIBITORS OF HISTONE DEMETHYLASES (PFI-63 AND PFI-90) FOR THE TREATMENT OF CANCER AND FOR THE INHIBITION OF HISTONE DEMETHYLASE IN CELLS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2022-09-28 EP disclosed