SCHEMBL28215975

SCHEMBL28215975

[Fe].c1c[nH]c(Cc2ccc[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KAT8 Q9H7Z6 1/20 0.34
DAO P14920 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
Fluoride SCHEMBL27944277 0.94 MAOA (0.45) MAOAHDAC8HDAC6DRD2DRD4
SCHEMBL27951539 0.94 MAOA (0.45) MAOAHDAC8HDAC6DRD2DRD4
Benzene SCHEMBL28241649 0.94 MAOA (0.45) MAOAHDAC8HDAC6DRD2DRD4
SCHEMBL30532125 0.94 MAOA (0.45) MAOAHDAC8HDAC6DRD2DRD4
SCHEMBL6284681 0.94 MAOA (0.45) MAOAHDAC8HDAC6DRD2DRD4
Bromide SCHEMBL29027395 0.94 MAOA (0.45) MAOAHDAC8HDAC6DRD2DRD4
Bromide SCHEMBL29027396 0.94 MAOA (0.45) MAOAHDAC8HDAC6DRD2DRD4
Fluoride SCHEMBL29179319 0.92 MAOA (0.44) MAOAHDAC8HDAC6DRD2DRD4
Fluoride Ion SCHEMBL31521528 0.92 MAOA (0.44) MAOAHDAC8HDAC6DRD2DRD4
Fluoride SCHEMBL28214761 0.92 MAOA (0.44) MAOAHDAC8HDAC6DRD2DRD4

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-105622676-B A kind of ferrocene zinc protoporphyrin compound and its synthesis and the application as dye sensitizing agent 西北师范大学 2018-05-22 CN disclosed