SCHEMBL9535747

SCHEMBL9535747

CCOCCNc1ncccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
NPC1 O15118 6/20 0.60
MAPT P10636 6/20 0.60
RAB9A P51151 5/20 0.60
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL2554503 0.86 LMNA (0.67) LMNANPC1MAPTRAB9APKM
SCHEMBL14099477 0.84 MAPT (0.68) LMNANPC1MAPTRAB9APKM
SCHEMBL28488329 0.81 NPC1 (0.67) LMNANPC1MAPTRAB9APKM
SCHEMBL30615612 0.81 NPC1 (0.67) LMNANPC1MAPTRAB9APKM
SCHEMBL4034758 0.81 NPC1 (0.62) LMNANPC1MAPTRAB9APKM
SCHEMBL8596871 0.81 LMNA (0.67) LMNANPC1MAPTRAB9APKM
Acetic Acid SCHEMBL29111020 0.81 LMNA (0.67) LMNANPC1MAPTRAB9APKM
SCHEMBL1420999 0.80 LMNA (0.70) LMNANPC1MAPTRAB9APKM
SCHEMBL9694050 0.80 LMNA (0.69) LMNANPC1MAPTRAB9APKM
Hydrochloric Acid SCHEMBL9694134 0.79 LMNA (0.67) LMNANPC1MAPTRAB9APKM

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 10 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
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
EP-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed