SCHEMBL7477379

SCHEMBL7477379

CCOC=C(C(=O)OC)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL7477373 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKDM4EGAATHRB
SCHEMBL6835113 0.85 CYP1A2 (0.50) SMN1; SMN2MAPTKDM4ECYP1A2CYP2C19
SCHEMBL6835112 0.85 CYP1A2 (0.50) SMN1; SMN2MAPTKDM4ECYP1A2CYP2C19
SCHEMBL10717796 0.85 CYP1A2 (0.50) SMN1; SMN2MAPTKDM4ECYP1A2CYP2C19
SCHEMBL11277749 0.81 CYP1A2 (0.39) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL7474653 0.81 CYP1A2 (0.39) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL7474656 0.81 CYP1A2 (0.39) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL7471412 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKDM4EGAATHRB
SCHEMBL7471414 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKDM4EGAATHRB
SCHEMBL5847912 0.79 CYP1A2 (0.35) CYP1A2CYP2C19ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP disclosed