SCHEMBL28487524

SCHEMBL28487524

COC(=O)c1cc2ccc3ccccc3c2cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 10/20 0.56
KDM4E B2RXH2 7/20 0.56
HPGD P15428 7/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 4/20 0.51
CFTR P13569 2/20 0.51
GAA P10253 3/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
ABL1 P00519 1/20 0.46
MPL P40238 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALOX15 P16050 1/20 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
SCHEMBL28679010 0.94 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL30393412 0.84 ALDH1A1 (0.61) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL266131 0.84 ALDH1A1 (0.61) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28672585 0.82 MAPT (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28685844 0.81 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL25275541 0.81 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL30393905 0.81 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL1539120 0.80 ALDH1A1 (0.66) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28680568 0.79 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL1287839 0.78 NCEH1 (0.54) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943287-B Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2023-02-03 CN disclosed
CN-112079859-B Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-03-18 CN disclosed
CN-113943290-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-01-18 CN disclosed
CN-113943287-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-01-18 CN disclosed
CN-112079859-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2020-12-15 CN disclosed