SCHEMBL11231124

SCHEMBL11231124

Cc1cc(-c2ccc([N+](=O)[O-])c(=O)[nH]2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
GRIK1 P39086 1/20 0.39
BLM P54132 1/20 0.39
GRIK2 Q13002 1/20 0.39

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
SCHEMBL11241138 0.84 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL11235391 0.83 GAA (0.35) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL11232208 0.79 PKN1 (0.44) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL11229699 0.76 PDE3B (0.43) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL11375997 0.72 GPR35 (0.47) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL6679480 0.72 KDM4E (0.50) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL18160498 0.72 ALDH1A1 (0.49) MAPTCYP3A4TSHRLMNAHPGD
SCHEMBL11231235 0.71 CYP11B1 (0.46) MAPTCYP3A4CYP1A2ALDH1A1MEN1
SCHEMBL11237623 0.70 HSD17B10 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL11266563 0.70 MAPT (0.49) MAPTTSHRLMNAHPGDBLM

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