SCHEMBL5712352

SCHEMBL5712352

CCCOc1nc2ccc(I)cc2c(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 3/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PARP1 P09874 1/20 0.35
GAA P10253 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL21925 0.87 USP2 (0.47) PARGALDH1A1LMNAL3MBTL1NPY1R
SCHEMBL8406727 0.86 USP2 (0.46) PARGALDH1A1LMNAL3MBTL1NPY1R
SCHEMBL5712356 0.86 MAPK1 (0.45) PARGALDH1A1LMNAL3MBTL1NPY1R
SCHEMBL8406726 0.85 USP2 (0.45) PARGALDH1A1LMNAL3MBTL1NPY1R
SCHEMBL5712378 0.81 TDP1 (0.42) PARGALDH1A1LMNAL3MBTL1NPY1R
SCHEMBL5712371 0.80 ALDH1A1 (0.39) PARGALDH1A1LMNAL3MBTL1NPY1R
SCHEMBL5712394 0.78 MTNR1A (0.40) PARGALDH1A1LMNAL3MBTL1NPY1R
SCHEMBL5712361 0.76 ADORA2B (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL7892011 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1USP2HTT
Pyrimethanil SCHEMBL302650 0.74 CDK4 (0.44) ALDH1A1LMNAL3MBTL1NPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1344775-B1 Preparation of fungicidal quinazolinones and useful intermediates DU PONT (US) 2006-11-29 EP disclosed
EP-0922037-B1 PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES DU PONT (US) 2003-10-01 EP disclosed
EP-1344775-A1 Preparation of fungicidal quinazolinones and useful intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-17 EP disclosed