SCHEMBL12100970

SCHEMBL12100970

CC(=O)c1ccc(OCc2ccccc2)c2c1CCC(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 4/20 0.45
BRD4 O60885 3/20 0.43
CREBBP Q92793 1/20 0.43
CA9 Q16790 1/20 0.43
MAOA P21397 2/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CRBN Q96SW2 3/20 0.40
DDB1 Q16531 2/20 0.40
SGMS2 Q8NHU3 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FOLH1 Q04609 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
SCHEMBL6074738 0.83 BRD4 (0.46) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9651009 0.80 BRD4 (0.44) MAOBBRD4CREBBPMAOACYP19A1
SCHEMBL1558720 0.79 MAPT (0.50) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL12559634 0.78 BRD4 (0.51) MAPTTDP1L3MBTL1MAOBBRD4
SCHEMBL632729 0.76 MAOB (0.59) MAOBCREBBPMAOACYP19A1CYP11B1
SCHEMBL11627142 0.75 ADRB3 (0.44) MAOBBRD4CREBBPMAOACYP19A1
SCHEMBL7091814 0.74 BRD4 (0.42) TDP1MAOBBRD4CREBBPMAOA
SCHEMBL6074729 0.74 BRD4 (0.42) TDP1MAOBBRD4CREBBPMAOA
SCHEMBL11621955 0.73 ADRB1 (0.50)
SCHEMBL11620367 0.73 ADRB2 (0.64) MAPTCYP2C9MAOAMEN1KMT2A

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
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed