SCHEMBL6314931

SCHEMBL6314931

COc1cccc(-c2nc3ccc(C)cc3c(=O)n2CCCN)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.52
AVPR1B P47901 9/20 0.49
POLB P06746 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6308835 0.94 F11 (0.58) F11AVPR1BPOLBRXFP1ALDH1A1
SCHEMBL6308217 0.93 F11 (0.57) F11AVPR1BPOLBRXFP1MAPT
SCHEMBL6308112 0.90 KMT2A (0.50) F11POLBRXFP1SMN1; SMN2
SCHEMBL6309340 0.90 POLB (0.56) F11AVPR1BPOLBRXFP1
SCHEMBL6309193 0.89 F11 (0.62) F11POLBRXFP1MAPTALDH1A1
SCHEMBL6306850 0.88 F11 (0.59) F11POLBRXFP1MAPTALDH1A1
SCHEMBL6307757 0.88 F11 (0.54) F11POLBRXFP1MAPTALDH1A1
SCHEMBL6306921 0.87 F11 (0.63) F11AVPR1BPOLBRXFP1MAPT
SCHEMBL6307779 0.87 EGFR (0.57) POLBRXFP1MAPTALDH1A1HPGD
SCHEMBL6308394 0.86 F11 (0.65) F11POLBRXFP1MAPTALDH1A1

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