SCHEMBL11234732

SCHEMBL11234732

Cc1cnccc1-c1ccc([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.38
CYP19A1 P11511 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7B Q9NP56 1/20 0.35
CHUK O15111 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
PIN1 Q13526 2/20 0.34
MAPK1 P28482 1/20 0.34
IDH1 O75874 1/20 0.34
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11225899 0.84 PDE7A (0.36) PDE7ARAB9APDE4BPDE4DPDE7B
SCHEMBL11240173 0.83 ROCK2 (0.38) CYP19A1RAB9ANPC1MEN1KMT2A
SCHEMBL11237253 0.82 HSD17B10 (0.37) PDE7ARAB9ANPC1MEN1KMT2A
SCHEMBL11234631 0.76 PDE7A (0.50) PDE7ARAB9ANPC1PDE4BPDE4D
SCHEMBL11226790 0.75 NPC1 (0.47) CYP19A1RAB9ANPC1PDE4DALDH1A1
SCHEMBL12454280 0.73 EPHB3 (0.35) PDE7ACHUKMEN1KMT2AMAPT
SCHEMBL3791741 0.72 DHFR (0.40) PDE7APDE4BPDE4DPDE7BCHUK
SCHEMBL136263 0.71 CTSB (0.53) NPC1MAPTSMN1; SMN2ALDH1A1PIN1
SCHEMBL30574931 0.71 CTSB (0.53) NPC1MAPTSMN1; SMN2ALDH1A1PIN1
SCHEMBL171809 0.71 HSD17B10 (0.52) RAB9ANPC1MEN1KMT2AMAPT

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
US-4317909-A Preparation of 1,3-dihydro-5-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones STERLING DRUG INC. (US) 1982-03-02 US disclosed
US-4294836-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