SCHEMBL7656619

SCHEMBL7656619

COc1cccc(O)c1C(=O)C=CC1=COC(Cc2ccccc2)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
KCNA3 P22001 1/20 0.44
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
NFKB1 P19838 4/20 0.41
NFKB2 Q00653 4/20 0.41
RELA Q04206 4/20 0.41
NR1H4 Q96RI1 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL7652008 0.86 NR1H4 (0.47) MAPTKMT2ANPSR1MEN1KCNA3
SCHEMBL7657631 0.80 CYP1A1 (0.43) MAPTKMT2AMEN1KCNA3MAOB
SCHEMBL7662659 0.79 MAPT (0.50) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL7652711 0.79 ABCG2 (0.60) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL3220588 0.77 APP (0.66) MAPTKMT2ANPSR1MEN1MAOB
SCHEMBL25193904 0.76 MAPT (0.71) AURKAMAPTKMT2ANPSR1MEN1
SCHEMBL5220133 0.76 HCAR2 (0.43) MAPTNFKB1CYP2C19
SCHEMBL5082313 0.76 MAPT (0.71) AURKAMAPTKMT2ANPSR1MEN1
SCHEMBL5082312 0.76 MAPT (0.71) AURKAMAPTKMT2ANPSR1MEN1
SCHEMBL30383768 0.76 MAPT (0.71) AURKAMAPTKMT2ANPSR1MEN1

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