SCHEMBL20797702

SCHEMBL20797702

Cn1ccc(CNc2ncccc2[N+](=O)[O-])n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
PKM P14618 1/20 0.54
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL20797787 0.82 EPHX2 (0.42) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL20797712 0.81 MAPT (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL20798383 0.80 GRIN1 (0.36) NPC1PKMRAB9AMAPTLMNA
SCHEMBL20797670 0.80 CYP1A2 (0.39) NPC1PKMMAPTLMNAMEN1
SCHEMBL8134885 0.79 PKM (0.61) NPC1PKMRAB9AMAPTLMNA
SCHEMBL20797655 0.77 TDP1 (0.42) MAPTMAPK1CASP6METEPHX2
SCHEMBL9304632 0.76 NPC1 (0.56) NPC1PKMRAB9AMAPTLMNA
SCHEMBL9634943 0.75 PKM (0.57) NPC1PKMRAB9AMAPTLMNA
SCHEMBL20797886 0.75 HPGDS (0.43) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL20797582 0.75 MAPT (0.53) NPC1MAPTMEN1KMT2AL3MBTL1

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