SCHEMBL30655591

SCHEMBL30655591

COc1cc(Br)cc(C(O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.51
CREBBP Q92793 3/20 0.51
CNR2 P34972 1/20 0.47
ACP3 P15309 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
AOC3 Q16853 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TACR1 P25103 1/20 0.38
CA4 P22748 1/20 0.38
CASR P41180 1/20 0.37

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
SCHEMBL4819668 0.88 BRD4 (0.57) BRD4CREBBPCNR2ACP3AOC3
SCHEMBL6480579 0.82 SMN1; SMN2 (0.45) CNR2IDO1TDO2L3MBTL1TACR1
SCHEMBL4423375 0.81 BRD4 (0.56) BRD4CREBBPCNR2ACP3AOC3
SCHEMBL25514148 0.80 KMT2A (0.41) L3MBTL1MEN1KMT2A
SCHEMBL27686957 0.79 AOC3 (0.54) BRD4CREBBPCNR2AOC3L3MBTL1
SCHEMBL477338 0.79 AOC3 (0.54) BRD4CREBBPCNR2AOC3L3MBTL1
SCHEMBL9719051 0.78 AHR (0.40) MEN1KMT2A
SCHEMBL18529828 0.78 AOC3 (0.50) BRD4AOC3L3MBTL1
SCHEMBL31476413 0.78 AOC3 (0.50) BRD4AOC3L3MBTL1
SCHEMBL6598474 0.77 IGF1R (0.50) BRD4AOC3L3MBTL1

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-116891488-A Condensed-cyclic compound, pharmaceutical composition containing condensed-cyclic compound and application of condensed-cyclic compound 成都海博为药业有限公司 2023-10-17 CN disclosed