SCHEMBL27414448

SCHEMBL27414448

c1ccc(N=Nc2nccs2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
KDM4E B2RXH2 5/20 0.51
MAPT P10636 5/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
KMT2A Q03164 4/20 0.51
NPSR1 Q6W5P4 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 3/20 0.51
HSP90AA1 P07900 3/20 0.51
KCNH2 Q12809 3/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 1/20 0.51
PAX8 Q06710 1/20 0.51
RIOK2 Q9BVS4 1/20 0.51
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 4/20 0.45

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
SCHEMBL2470956 0.79 MAOA (0.77) MAOAMAOBKDM4EMAPTL3MBTL1
SCHEMBL275526 0.79 MAOA (0.77) MAOAMAOBKDM4EMAPTL3MBTL1
SCHEMBL29785641 0.79 MAOA (0.77) MAOAMAOBKDM4EMAPTL3MBTL1
SCHEMBL2199674 0.79 MAPT (0.55) KDM4EMAPTL3MBTL1KMT2ANPSR1
Benzene SCHEMBL10803509 0.77 MAOA (0.82) MAOAMAOBKDM4EMAPTL3MBTL1
SCHEMBL2557888 0.77 MAOA (0.74) MAOAMAOBKDM4EMAPTL3MBTL1
SCHEMBL1305759 0.77 KMT2A (0.50) MAOAMAOBKDM4EMAPTL3MBTL1
SCHEMBL1305761 0.77 KMT2A (0.50) MAOAMAOBKDM4EMAPTL3MBTL1
SCHEMBL9066032 0.74 MAOA (0.53) MAOAMAOBKDM4EMAPTL3MBTL1
SCHEMBL9066034 0.74 MAOA (0.53) MAOAMAOBKDM4EMAPTL3MBTL1

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-1088597-A Comprise the dye mixture that has from the azoic dyestuff of the coupling component of diamino-pyridine series BASF AG (DE) 1994-06-29 CN disclosed