SCHEMBL28769241

SCHEMBL28769241

c1ccc(-c2c[nH]c3ccc4ccccc4c23)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ AHR P35869 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ CDC42BPB Q9Y5S2 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CDK5 Q00535 3/20 0.41
▸ CDK5R1 Q15078 3/20 0.41
▸ CLK1 P49759 2/20 0.41

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
SCHEMBL11258541 0.77 CLK1 (0.59) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL31127913 0.77 CLK1 (0.59) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL23098927 0.77 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL28584842 0.76 HTR2A (0.48) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL29870493 0.76 HTR2A (0.48) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL17691996 0.74 AHR (0.51) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL21274321 0.73 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL11655281 0.72 GSK3B (0.47) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL28396548 0.71 HTR2A (0.47) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL31473547 0.71 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2MAPTNPC1

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-101018796-A Metal complex, light-emitting solid, organic EL element, and organic EL display FUJI FILM CORP (JP) 2007-08-15 — — CN disclosed
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