SCHEMBL7654027

SCHEMBL7654027

O=C(Nc1ccc(Br)cc1)Nc1ccc2oc(C3=COC(Cc4ccccc4)O3)c(O)c(=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NMUR2 Q9GZQ4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
FPR2 P25090 3/20 0.35
SNCA P37840 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL7662615 0.95 CA12 (0.38) MAOBKDM4EMAPTMEN1KMT2A
SCHEMBL7663238 0.93 EGFR (0.39) MAOBNMUR2KDM4EMAPTMEN1
SCHEMBL7651944 0.89 PPIA (0.39) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL7852165 0.88 SNCA (0.39) MAOBKDM4EMAPTMEN1KMT2A
SCHEMBL926119 0.88 KDM4E (0.40) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL7655744 0.87 NMUR2 (0.44) MAOBNMUR2KDM4EMAPTMEN1
SCHEMBL7666892 0.87 SNCA (0.45) MAOBKDM4EMAPTMEN1KMT2A
SCHEMBL7660127 0.86 CCR3 (0.44) MAPTMEN1KMT2A
SCHEMBL7665046 0.86 HIF1A (0.42) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7666776 0.85 MAPT (0.38) KDM4EMAPTMEN1KMT2ANPC1

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 1 patent. 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