SCHEMBL20797604

SCHEMBL20797604

CCCOCCNc1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
MAPT P10636 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALPG P10696 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NR1I2 O75469 1/20 0.34

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
SCHEMBL20797675 0.91 KAT2B (0.44) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17819071 0.82 KAT2B (0.52) KAT2BMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL20797644 0.82 KAT2B (0.39) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20797603 0.82 KAT2B (0.43) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20797762 0.82 KAT2B (0.46) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18322365 0.80 KAT2B (0.44) KAT2BMAPTTDP1L3MBTL1MAPK1
SCHEMBL15423129 0.80 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AALPG
SCHEMBL10480286 0.77 KAT2B (0.46) KAT2BMAPTNPC1RAB9ATDP1
SCHEMBL20810984 0.77 KAT2B (0.39) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20797741 0.76 KDM4E (0.39) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1

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-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