SCHEMBL11225899

SCHEMBL11225899

CCc1cnccc1-c1ccc([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7B Q9NP56 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PIN1 Q13526 3/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
POLB P06746 1/20 0.34
CHUK O15111 1/20 0.34
GSR P00390 1/20 0.33
TXNRD1 Q16881 1/20 0.33
LATS1 O95835 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL11241085 0.84 MAPT (0.36) MEN1KMT2ACCNCCDK8MAPT
SCHEMBL11234732 0.84 PDE7A (0.38) PDE7APDE4BPDE4DPDE7BMEN1
SCHEMBL11227511 0.75 CCNC (0.41) PDE7APDE4BPDE4DPDE7BMEN1
SCHEMBL11234631 0.74 PDE7A (0.50) PDE7APDE4BPDE4DPDE7BMEN1
SCHEMBL11226790 0.73 NPC1 (0.47) PDE4DALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL113118 0.72 TXNRD1 (0.41) PIN1GSRTXNRD1MAPTALDH1A1
SCHEMBL11237253 0.72 HSD17B10 (0.37) PDE7AMEN1KMT2APIN1MAPT
SCHEMBL11237466 0.71 CCNC (0.37) MEN1KMT2ACCNCCDK8POLB
SCHEMBL12454280 0.71 EPHB3 (0.35) PDE7AMEN1KMT2APIN1POLB
SCHEMBL3791741 0.70 DHFR (0.40) PDE7APDE4BPDE4DPDE7BMEN1

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