SCHEMBL11240173

SCHEMBL11240173

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP19A1 P11511 1/20 0.37
MAP4K1 Q92918 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CLK1 P49759 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PSMD14 O00487 1/20 0.35
PRKACA P17612 1/20 0.35
CASP6 P55212 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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) MAPTALDH1A1MAP4K1MEN1KMT2A
SCHEMBL11234732 0.83 PDE7A (0.38) MAPTALDH1A1CYP19A1NPC1RAB9A
SCHEMBL3791741 0.83 DHFR (0.40) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL11240092 0.81 TSHR (0.39) MAPTALDH1A1NPC1RAB9ACYP3A4
SCHEMBL13398588 0.81 HSD17B10 (0.47) ALDH1A1CYP19A1CYP3A4TSHRRECQL
SCHEMBL11241124 0.77 ROCK2 (0.43) ROCK2CYP19A1MAP4K1CYP3A4CCNC
SCHEMBL3789449 0.76 MAP2K3 (0.44) MAPTALDH1A1NPC1RAB9ACYP3A4
SCHEMBL29363024 0.75 HSP90AA1 (0.50) ALDH1A1CYP19A1NPC1RAB9ACYP3A4
SCHEMBL3786754 0.75 HSP90AA1 (0.50) ALDH1A1CYP19A1NPC1RAB9ACYP3A4
SCHEMBL28794566 0.72 MEN1 (0.41) MAPTALDH1A1NPC1CYP3A4TSHR

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