SCHEMBL20797692

SCHEMBL20797692

CCOCCNc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.47
MAPT P10636 8/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
ALPG P10696 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PTGER4 P35408 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 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
SCHEMBL2552051 0.86 LMNA (0.52) KAT2BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL20797675 0.84 KAT2B (0.44) KAT2BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL20797669 0.83 KAT2B (0.41) KAT2BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL20797419 0.83 KAT2B (0.49) KAT2BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL982086 0.81 KAT2B (0.48) KAT2BMAPTRAB9ANPC1KMT2A
SCHEMBL17819079 0.81 KAT2B (0.56) KAT2BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1421193 0.80 KAT2B (0.52) KAT2BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13728019 0.80 MAPT (0.48) KAT2BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL20810699 0.80 KDM4E (0.46) KAT2BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL20797804 0.79 PTGER4 (0.39) KAT2BMAPTRAB9ASMN1; SMN2NPC1

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