SCHEMBL30466802

SCHEMBL30466802

O=C1C=CC(=O)C(C2N=N2)=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
ALDH1A1 P00352 2/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
ERBB2 P04626 1/20 0.34
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
ACHE P22303 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33
MDM2 Q00987 1/20 0.33
DHODH Q02127 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
SCHEMBL30945992 0.70 MAOA (0.83) MAOAMAOBALDH1A1RECQLTDP1
SCHEMBL29130494 0.68 MAOA (0.48) MAOAMAOBALDH1A1RECQLTDP1
SCHEMBL9273561 0.67 MAOA (1.00) MAOAMAOBALDH1A1RECQLTDP1
SCHEMBL9343961 0.65 MAOA (0.96) MAOAMAOBALDH1A1RECQLTDP1
SCHEMBL29266041 0.65 MAOA (0.96) MAOAMAOBALDH1A1RECQLTDP1
SCHEMBL7913634 0.60 MAOA (0.59) MAOAMAOBALDH1A1RECQLTDP1
SCHEMBL9671032 0.58
SCHEMBL3276662 0.56
SCHEMBL751068 0.56
SCHEMBL251013 0.56

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-116333148-A Site-specific glycoengineering of targeting modules 建新公司 2023-06-27 CN disclosed