SCHEMBL6310555

SCHEMBL6310555

COc1ccc(OC)c(/C=C/c2nc3ccc(C)cc3c(=O)n2CCCN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
F11 P03951 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.40
UBE2N P61088 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RXRA P19793 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39

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
SCHEMBL6310557 1.00 LMNA (0.42) LMNAF11CYP1A1CYP1A2NFE2L2
SCHEMBL6306834 0.94 LMNA (0.45) LMNAF11CYP1A1CYP1A2NFE2L2
SCHEMBL6306831 0.94 LMNA (0.45) LMNAF11CYP1A1CYP1A2NFE2L2
SCHEMBL6314044 0.90 MAPT (0.44) LMNACYP1A1CYP1A2NFE2L2CYP1B1
SCHEMBL6314046 0.90 MAPT (0.44) LMNACYP1A1CYP1A2NFE2L2CYP1B1
SCHEMBL6310302 0.90 LMNA (0.54) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL6310295 0.90 LMNA (0.54) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL6313768 0.83 ALDH1A1 (0.48) LMNAALDH1A1MAPTHPGDKDM4E
SCHEMBL6313760 0.83 ALDH1A1 (0.48) LMNAALDH1A1MAPTHPGDKDM4E
SCHEMBL6309679 0.81 MEN1 (0.55) LMNAALDH1A1MAPTHPGDMAPK1

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
US-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed