SCHEMBL11241875

SCHEMBL11241875

CC(C)Nc1nc(-c2ccncc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.42
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
HTT P42858 1/20 0.40
BRD4 O60885 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE7A Q13946 2/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
PRKCA P17252 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11235404 0.84 POLB (0.45) POLBMAPTLATS1LATS2NPC1
SCHEMBL11238719 0.81 GAA (0.47) POLBMAPTLATS1LATS2NPC1
SCHEMBL11235055 0.81 LATS1 (0.40) POLBMAPTLATS1LATS2NPC1
SCHEMBL11233319 0.76 L3MBTL1 (0.52) POLBMAPTLATS1LATS2PDE7A
SCHEMBL11235434 0.76 PRKCD (0.51) POLBMAPTLATS1LATS2NPC1
SCHEMBL11231846 0.76 POLB (0.52) POLBMAPTRAB9APDE7AALDH1A1
SCHEMBL11232295 0.75 HDAC2 (0.52) POLBLATS1LATS2NPC1RAB9A
SCHEMBL27211667 0.75 MAPT (0.68) POLBMAPTHTTBRD4CYP1A2
SCHEMBL8699458 0.75 MAPT (0.51) MAPTHTTBRD4CYP1A2ALDH1A1
SCHEMBL11223316 0.75 GLA (0.41) MAPTHTTPDE7AABL1BCR

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