SCHEMBL20797693

SCHEMBL20797693

CC(C)(C)OCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
KAT2B Q92831 2/20 0.56
ALDH1A1 P00352 6/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 4/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.45

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
SCHEMBL762770 0.83 MAPT (0.68) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL8718178 0.81 MAPT (0.70) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL20797617 0.81 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL20797372 0.81 HCAR3 (0.49) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL6370287 0.81 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL6595723 0.81 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL6198859 0.81 KAT2B (0.80) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL7736374 0.81 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20798658 0.79 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL10800407 0.79 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2KAT2B

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
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed