SCHEMBL3939908

SCHEMBL3939908

COc1cc(C(=O)NC2CCN(C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
SIRT6 Q8N6T7 1/20 0.47
USP30 Q70CQ3 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MCHR1 Q99705 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
PDE5A O76074 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL3541959 1.00 POLB (0.47) POLBSIRT6USP30ALDH1A1KMT2A
SCHEMBL736393 0.93 SIRT6 (0.52) POLBSIRT6ALDH1A1KMT2ALMNA
SCHEMBL15880759 0.91 SIRT6 (0.48) POLBSIRT6ALDH1A1KMT2ALMNA
SCHEMBL3544241 0.84 ALDH1A1 (0.61) POLBALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3538444 0.84 MAPT (0.57) POLBALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9964597 0.83 AURKA (0.51) MCHR1AURKAAURKB
SCHEMBL13175736 0.82 HTR4 (0.54) USP30MCHR1AURKAAURKB
SCHEMBL3544670 0.82 HTR4 (0.54) USP30MCHR1AURKAAURKB
SCHEMBL736430 0.82 ALDH1A1 (0.53) POLBALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL13846090 0.82 HTR4 (0.54) USP30MCHR1AURKAAURKB

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
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed