SCHEMBL6313495

SCHEMBL6313495

COc1ccc(-c2ccc(-c3nc4ccc(C)cc4c(=O)n3CCCN)s2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.46
RXRA P19793 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
POLB P06746 1/20 0.40
CRHR1 P34998 1/20 0.39
P2RX3 P56373 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7554022 0.95 F11 (0.50) F11RXRAKDM4ETDP1CRHR1
SCHEMBL6314138 0.91 F11 (0.45) F11RXRATDP1POLBCRHR1
SCHEMBL6313995 0.90 RXRA (0.52) RXRAALDH1A1MAPTHPGDMAPK1
SCHEMBL6308861 0.86 F11 (0.57) F11RXRAALDH1A1MAPTHPGD
SCHEMBL6307883 0.86 EGFR (0.46) F11RXRATDP1POLBCRHR1
SCHEMBL7554897 0.84 F11 (0.40) F11ALDH1A1HSP90AA1NPSR1
SCHEMBL7553290 0.83 F11 (0.52) F11RXRAALDH1A1MAPTHPGD
SCHEMBL5877936 0.82 CRHR1 (0.41) F11LMNACRHR1P2RX3
SCHEMBL6306810 0.81 F11 (0.62) F11RXRAALDH1A1MAPTHPGD
SCHEMBL6308042 0.80 F11 (0.49) F11RXRAALDH1A1MAPTHPGD

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