SCHEMBL11238427

SCHEMBL11238427

CCc1nc(NCCOC)c([N+](=O)[O-])cc1-c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
POLB P06746 2/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
HCAR3 P49019 1/20 0.40
MAPT P10636 5/20 0.39
PTGER4 P35408 1/20 0.39
RAB9A P51151 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL11240806 0.82 ALDH1A1 (0.48) LMNAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL11242595 0.77 MAPK1 (0.42) LMNAMEN1KMT2APOLBMAPT
SCHEMBL11232519 0.73 MAPK1 (0.37) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL11239839 0.70 CYP11B1 (0.43) LMNACYP1A2CYP3A4POLBABCB1
SCHEMBL2554503 0.69 LMNA (0.67) LMNAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL11159825 0.69 JAK3 (0.41) ALDH1A1HSD17B10CLK4POLB
SCHEMBL11231846 0.69 POLB (0.52) LMNAALDH1A1MEN1KMT2APOLB
Formic Acid SCHEMBL29111021 0.67 LMNA (0.47) LMNAALDH1A1MEN1KMT2APOLB
Acetic Acid SCHEMBL29111020 0.67 LMNA (0.67) LMNAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL2552157 0.67 LMNA (0.60) LMNAALDH1A1MEN1KMT2APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309537-A Production of imidazo[4,5-b]pyridin-2-ones or thiones STERLING DRUG INC. (US) 1982-01-05 US disclosed
US-4297360-A 5-(Pyridinyl)pyridine-2,3-diamines, preparation thereof and their cardiotonic use STERLING DRUG INC. (US) 1981-10-27 US disclosed
US-4294837-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US disclosed
US-4276293-A Compositions and their preparation STERLING DRUG INC. (US) 1981-06-30 US disclosed