SCHEMBL11236993

SCHEMBL11236993

CN(C)CCNc1ncc(-c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PRKCI P41743 1/20 0.40
POLB P06746 3/20 0.38
RAD52 P43351 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL11236111 0.93 SMN1; SMN2 (0.45) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL11231160 0.88 POLB (0.39) POLBKDM4EMAPTNPC1RAB9A
SCHEMBL11238534 0.84 ROCK2 (0.44) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL11227394 0.84 GAA (0.49) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL11237124 0.83 POLB (0.49) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL11237675 0.82 PRKCD (0.46) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL11230984 0.81 POLB (0.47) ALDH1A1POLBKDM4EMAPTNPC1
SCHEMBL1980048 0.80 ALDH1A1 (0.51) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL11232406 0.79 LMNA (0.44) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL11235044 0.79 AURKA (0.47) ALDH1A1PRKCIPOLBRAD52KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309537-A Production of imidazo[4,5-b]pyridin-2-ones or thiones STERLING DRUG INC. (US) 1982-01-05 US disclosed
US-4297360-A 5-(Pyridinyl)pyridine-2,3-diamines, preparation thereof and their cardiotonic use STERLING DRUG INC. (US) 1981-10-27 US disclosed
US-4294837-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
US-4276293-A Compositions and their preparation STERLING DRUG INC. (US) 1981-06-30 US disclosed