SCHEMBL21028244

SCHEMBL21028244

c1ccc(-c2cncc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
FAAH O00519 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
MGLL Q99685 1/20 0.39
MAPT P10636 3/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL28436068 0.97 ATM (0.47) ATML3MBTL1KDM4ECHRNB4CHRNA3
SCHEMBL29358123 0.97 L3MBTL1 (0.50) ATML3MBTL1KDM4ECHRNB4CHRNA3
SCHEMBL612234 0.97 L3MBTL1 (0.50) ATML3MBTL1KDM4ECHRNB4CHRNA3
SCHEMBL18151976 0.97 L3MBTL1 (0.50) ATML3MBTL1KDM4ECHRNB4CHRNA3
SCHEMBL8400383 0.97 L3MBTL1 (0.50) ATML3MBTL1KDM4ECHRNB4CHRNA3
SCHEMBL29362914 0.97 L3MBTL1 (0.50) ATML3MBTL1KDM4ECHRNB4CHRNA3
SCHEMBL15159277 0.94 ATM (0.46) ATML3MBTL1KDM4ECHRNB4CHRNA3
SCHEMBL11987844 0.94 L3MBTL1 (0.49) ATML3MBTL1KDM4ECHRNB4CHRNA3
SCHEMBL21453879 0.94 L3MBTL1 (0.47) ATML3MBTL1KDM4ECHRNB4CHRNA3
SCHEMBL10024691 0.92 L3MBTL1 (0.48) ATML3MBTL1KDM4ECHRNB4CHRNA3

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
EP-3522248-A1 LIGHT-EMITTING ELEMENT, AND COMPOSITION USEFUL FOR MANUFACTURING LIGHT-EMITTING ELEMENT Sumitomo Chemical Company Limited (JP) 2019-08-07 EP disclosed
EP-3490019-A1 LIGHT-EMITTING ELEMENT Sumitomo Chemical Company Limited (JP) 2019-05-29 EP disclosed