SCHEMBL28364858

SCHEMBL28364858

Cc1cccc(Nc2ccccc2C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 4/20 0.46
GAA P10253 4/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LRRK2 Q5S007 3/20 0.45
CRHR1 P34998 1/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IMPDH2 P12268 1/20 0.44
AURKA O14965 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD4 P21917 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL17947267 0.86 NPSR1 (0.46) NPSR1KDM4EGAAHPGDKMT2A
SCHEMBL1922073 0.82 NPSR1 (0.72) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL16481495 0.81 ALDH1A1 (0.49) NPSR1KDM4EGAAHPGDALDH1A1
SCHEMBL28216056 0.81 GAA (0.55) NPSR1KDM4EGAAHPGDALDH1A1
SCHEMBL20552441 0.80 LMNA (0.47) NPSR1KDM4EGAAHPGDALDH1A1
SCHEMBL17947386 0.80 RAB9A (0.50) NPSR1HPGDALDH1A1KMT2AMEN1
SCHEMBL4188631 0.80 AURKA (0.59) KDM4EGAAHPGDALDH1A1LRRK2
SCHEMBL28361136 0.80 KCNK18 (0.49) KDM4EGAAHPGDALDH1A1LRRK2
SCHEMBL20552820 0.80 RAPGEF4 (0.48) KDM4EGAAHPGDALDH1A1LRRK2
SCHEMBL28364827 0.80 KDM4E (0.55) NPSR1KDM4EGAAALDH1A1LRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698399-B Preparation method of aryl acridine derivative synthesized by palladium catalysis 温州大学 2021-06-08 CN disclosed
CN-110698399-A Aryl acridine derivative synthesized by palladium catalysis and preparation method thereof 温州大学 2020-01-17 CN disclosed