SCHEMBL7658891

SCHEMBL7658891

CC(=O)Nc1ccc(O)c(C(=O)C=CC2=COC(Cc3ccccc3)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
GUSB P08236 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AR P10275 1/20 0.38
MAOB P27338 1/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PDK1 Q15118 1/20 0.35

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
SCHEMBL7664550 0.86 MAPT (0.43) NPC1RAB9AKMT2AMAPTMAPK1
SCHEMBL7657806 0.83 AR (0.51) MEN1KMT2AMAPTMAPK1GUSB
SCHEMBL7666636 0.83 AR (0.58) NPC1MEN1KMT2AMAPTMAPK1
SCHEMBL7666145 0.83 MAOB (0.58) MAPTGUSBL3MBTL1ARMAOB
SCHEMBL7662659 0.82 MAPT (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7654658 0.82 APP (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7664261 0.78 AR (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5130619 0.78 GUSB (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5130616 0.78 GUSB (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7652711 0.77 ABCG2 (0.60) NPC1RAB9AMEN1KMT2AMAPT

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-6500846-B1 2-(4-CHLOROPHENYL)-7-METHOXYCHROMEN-4-ONE, AS CYCLIN-DEPENDENT KINASE INHIBITORS, USED AS ANTICARCINOGENIC AGENTS OR FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASE LG CHEMICAL, LTD. (KR) 2002-12-31 US disclosed
EP-1109800-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LIMITED (KR) 2001-06-27 EP disclosed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 WO disclosed