SCHEMBL28811544

SCHEMBL28811544

COc1cc(N(c2ccccc2)c2ccc(Br)c(OC)c2)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.47
SLC16A1 P53985 1/20 0.47
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
EGFR P00533 2/20 0.38
CSF1R P07333 2/20 0.38
TSHR P16473 1/20 0.38
GRM4 Q14833 1/20 0.38

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
SCHEMBL29868763 1.00 SLC16A3 (0.47) SLC16A3SLC16A1MAPTALDH1A1CYP1A2
SCHEMBL31257114 0.87 MAPT (0.44) SLC16A3SLC16A1MAPTALDH1A1CYP1A2
SCHEMBL25012506 0.87 SLC16A3 (0.43) SLC16A3SLC16A1MAPTALDH1A1CYP1A2
SCHEMBL8943860 0.83 SLC16A3 (0.50) SLC16A3SLC16A1MAPTALDH1A1CYP1A2
SCHEMBL12288718 0.80 SLC16A3 (0.48) SLC16A3SLC16A1MAPTALDH1A1CYP1A2
SCHEMBL21345465 0.79 SLC16A3 (0.40) SLC16A3SLC16A1MAPTALDH1A1CYP1A2
SCHEMBL7738350 0.79 ALDH1A1 (0.46) SLC16A3SLC16A1MAPTALDH1A1CYP1A2
SCHEMBL8943919 0.79 CA12 (0.53) SLC16A3SLC16A1MAPTALDH1A1CYP1A2
SCHEMBL8864063 0.79 MEN1 (0.54) SLC16A3SLC16A1MAPTALDH1A1CYP1A2
SCHEMBL14770875 0.79 SLC16A3 (0.47) SLC16A3SLC16A1MAPTALDH1A1CYP1A2

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-114874251-A Silicon center chiral silanol and synthetic method thereof 南方科技大学 2022-08-09 CN disclosed