SCHEMBL29225596

SCHEMBL29225596

[N-]=[N+]=Nc1cccc2c1-c1ccccc1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.40
MAOA P21397 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
BCHE P06276 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
SCHEMBL15229075 0.90 MAOA (0.36) HTR2BMAOAPOLBALDH1A1MAPT
SCHEMBL2526501 0.80 HTR2B (0.45) HTR2BMAOAPOLBALDH1A1MAPT
SCHEMBL29225584 0.77 MAOA (0.47) HTR2BMAOAPOLBALDH1A1MAPT
SCHEMBL23355905 0.72 GABRA1 (0.41) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL28004757 0.72 MAOA (0.54) HTR2BMAOAPOLBALDH1A1MAPT
SCHEMBL26982496 0.72 CYP3A4 (0.44) HTR2BMAOAPOLBALDH1A1MAPT
SCHEMBL28004759 0.71 MAOA (0.52) HTR2BMAOAPOLBALDH1A1MAPT
Hydrogen Sulfide SCHEMBL23355901 0.71 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27278533 0.70 ADORA2A (0.47) MAOAPOLBALDH1A1MAPTKDM4E
Fluorene SCHEMBL8190460 0.70 MAOA (0.56) HTR2BMAOAALDH1A1MAPTKDM4E

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-114213374-B Synthesis method of 4-aminofluorene 棓诺(苏州)新材料有限公司 2024-05-31 CN disclosed