SCHEMBL7553290

SCHEMBL7553290

COc1ccc(-c2ccc(-c3nc4ccc(C)cc4c(=O)n3CCCN)cc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.52
ALDH1A1 P00352 6/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RXRA P19793 1/20 0.42

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
SCHEMBL6308861 0.94 F11 (0.57) F11ALDH1A1HPGDMAPTMAPK1
SCHEMBL7549056 0.94 F11 (0.59) F11ALDH1A1HPGDMAPTMAPK1
SCHEMBL6306850 0.90 F11 (0.59) F11ALDH1A1HPGDMAPTMAPK1
SCHEMBL6306810 0.89 F11 (0.62) F11ALDH1A1HPGDMAPTMAPK1
SCHEMBL6308756 0.88 POLB (0.56) F11ALDH1A1HPGDMAPTMAPK1
SCHEMBL6308495 0.85 F11 (0.59) F11ALDH1A1HPGDMAPTMAPK1
SCHEMBL6307218 0.85 F11 (0.55) F11ALDH1A1HPGDMAPTMAPK1
SCHEMBL7550360 0.85 EGFR (0.53) F11ALDH1A1HPGDMAPTMAPK1
SCHEMBL6309009 0.84 SMN1; SMN2 (0.51) F11ALDH1A1HPGDMAPTMAPK1
SCHEMBL6308394 0.84 F11 (0.65) F11ALDH1A1HPGDMAPTMAPK1

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-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