SCHEMBL28771454

SCHEMBL28771454

COc1cc(C(=O)C=Cc2ccccc2)c(OC)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
ABCG2 Q9UNQ0 5/20 0.62
CYP1A1 P04798 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP1B1 Q16678 1/20 0.61
CXCL12 P48061 2/20 0.60
TNFRSF1A P19438 2/20 0.57
KCNA3 P22001 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.54
RECQL P46063 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CAPN1 P07384 1/20 0.53
PARP1 P09874 1/20 0.53
MAOA P21397 1/20 0.53

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
SCHEMBL5088653 0.86 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5088647 0.86 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6715026 0.83 MAPT (0.68) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6715024 0.83 MAPT (0.68) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27697050 0.83 MAOB (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4254944 0.82 ABCG2 (0.90) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4254947 0.82 ABCG2 (0.90) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL29011937 0.82 MAPT (0.67) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL15807361 0.82 MAPT (0.75) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL15807393 0.81 NFE2L2 (0.68) MAPTNPC1RAB9AMEN1KMT2A

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
CN-101143861-A B ring 4'-single substituted flavone compounds, preparation method and use SHANGHAI INST MATERIA MEDICA (CN) 2008-03-19 CN disclosed