SCHEMBL28386971

SCHEMBL28386971

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(BO)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.40
APEX1 P27695 1/20 0.38
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
GPR3 P46089 1/20 0.33
PTPN11 Q06124 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24285478 1.00 PDK2 (0.40) PDK2APEX1MMP2MMP9MMP8
SCHEMBL26488593 0.93 CNR1 (0.35) PDK2MMP2MMP9MMP8MMP13
SCHEMBL26488594 0.93 CNR1 (0.35) PDK2MMP2MMP9MMP8MMP13
SCHEMBL7093284 0.85 APEX1 (0.46) PDK2APEX1MMP2MMP9MMP8
SCHEMBL26489849 0.83 CNR1 (0.30) CNR1CNR2
SCHEMBL12962387 0.83 LIPG (0.38) CNR1CNR2
SCHEMBL18821380 0.82 APEX1 (0.42) PDK2APEX1MMP2MMP9MMP8
SCHEMBL14060137 0.82 APEX1 (0.42) PDK2APEX1MMP2MMP9MMP8
SCHEMBL6060635 0.82 APEX1 (0.47) PDK2APEX1MMP2MMP9MMP8
SCHEMBL17034549 0.82 APEX1 (0.47) PDK2APEX1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501232-B Organic solar cell small molecule receptor material with naphtho-indene fluorene unit as core and preparation method and application thereof 华南理工大学 2021-09-21 CN disclosed
CN-106831728-B Bipolar small-molecule luminescent material taking aromatic heterocyclic indene fluorene unit as core and preparation method and application thereof 华南理工大学 2021-02-19 CN disclosed
CN-106946878-B Bipolar luminescent material which can be processed by environment-friendly solvent and takes alkyl phenanthroline unit as core, and preparation method and application thereof 华南理工大学 2020-09-22 CN disclosed
CN-107286175-B Star-shaped bipolar small-molecule luminescent material taking triarylamine group as core and preparation method and application thereof 华南理工大学 2020-05-22 CN disclosed
CN-106675551-B Bipolar small-molecule luminescent material which can be processed by environment-friendly solvent and takes naphthoindene fluorene unit as core, and preparation method and application thereof 华南理工大学 2020-04-28 CN disclosed