SCHEMBL28215973

SCHEMBL28215973

Nc1ccc2c(c1)Nc1ccccc1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 2/20 0.43
RECQL P46063 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
CHEK1 O14757 3/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
CA9 Q16790 1/20 0.39

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
SCHEMBL20968301 0.92 MAPT (0.48) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL3898921 0.92 MAPT (0.48) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL2131715 0.79 MAPT (0.44) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL6298884 0.78 ACVR1 (0.64) MAPTMEN1KMT2ANPSR1CYP3A4
SCHEMBL19350808 0.76 KDM4E (0.54) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL5383879 0.74 MAPT (0.62) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL33373496 0.74 ALOX5 (0.65) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL8520270 0.74 ALOX5 (0.65) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL31191641 0.74 ALOX5 (0.65) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL237910 0.74 NOX1 (0.65) GAAMAPTKDM4EMEN1KMT2A

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-108203417-A Organic compound and organic electroluminescence device based on fluorenes 江苏三月光电科技有限公司 2018-06-26 CN disclosed