SCHEMBL28628530

SCHEMBL28628530

CCOC(=O)c1cc(-c2cccc(Br)c2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
CACNA1F O60840 1/20 0.53
ABCB1 P08183 1/20 0.53
CACNA1D Q01668 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
MAPT P10636 5/20 0.53
TP53 P04637 2/20 0.52
ACR P10323 1/20 0.52
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 2/20 0.48
PTPN1 P18031 1/20 0.48
CYP1A2 P05177 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL2967105 0.86 TP53 (0.57) L3MBTL1MAPTTP53ACRHPGD
SCHEMBL5620616 0.85 MAPT (0.72) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL1686476 0.85 MAPT (0.72) L3MBTL1MAPTTP53ACRTHRB
SCHEMBL768649 0.85 ACR (0.63) L3MBTL1MAPTTP53ACRHPGD
SCHEMBL2967428 0.84 L3MBTL1 (0.55) L3MBTL1MAPTTP53ACRHPGD
SCHEMBL1227407 0.84 L3MBTL1 (0.73) L3MBTL1MAPTTP53ACRHPGD
SCHEMBL5620054 0.84 SMN1; SMN2 (0.56) L3MBTL1MAPTTP53ACRHPGD
SCHEMBL210302 0.84 TRPM8 (0.55) L3MBTL1MAPTTP53ACRHPGD
SCHEMBL2108368 0.81 MAPT (0.57) L3MBTL1MAPTTP53ACRHPGD
SCHEMBL29775668 0.81 MAPT (0.57) L3MBTL1MAPTTP53ACRHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307779-B Heterocyclic substituted biphenyl compound, preparation method and application 中国药科大学 2023-04-21 CN disclosed
CN-113307779-A Heterocyclic substituted biphenyl compound, preparation method and application 中国药科大学 2021-08-27 CN disclosed