SCHEMBL30486018

SCHEMBL30486018

BrC#Cc1ccc(-c2ccc(C#CBr)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
APP P05067 2/20 0.36
KCNH2 Q12809 1/20 0.35
MMP3 P08254 1/20 0.35
CHRNA7 P36544 2/20 0.31
CHRNA10 Q9GZZ6 2/20 0.31
CHRNA9 Q9UGM1 2/20 0.31
KIF11 P52732 2/20 0.31
MAPT P10636 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL2533168 0.90 APP (0.42) CYP1A1CYP1A2CYP1B1APPMAPT
SCHEMBL28607595 0.89 CYP1A2 (0.60) CYP1A1CYP1A2CYP1B1APPKCNH2
SCHEMBL28807778 0.85 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1MMP3
SCHEMBL16107727 0.82 APP (0.53) APPKCNH2MAPT
SCHEMBL20138872 0.79 CYP2A6 (0.47) APP
SCHEMBL990765 0.77 LMNA (0.44) APPKCNH2MAPTGRM5
SCHEMBL22779082 0.77 GRM5 (0.48) KCNH2MAPTGRM5
SCHEMBL28858477 0.77 CA2 (0.48) MMP3KIF11
SCHEMBL205838 0.75
Benzene SCHEMBL28136930 0.75 APP (0.65) CYP1A1CYP1A2CYP1B1APPKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113845658-B Porous organic polymer, preparation method and application thereof 南京理工大学 2023-04-28 CN claimed
CN-113845658-B Porous organic polymer, preparation method and application thereof 南京理工大学 2023-04-28 CN disclosed
CN-113845658-B Porous organic polymer, preparation method and application thereof 南京理工大学 2023-04-28 CN disclosed