SCHEMBL28709588

SCHEMBL28709588

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccc6-c6ccccc6)nc5)c4)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
NFKB1 P19838 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NTSR1 P30989 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAP4K4 O95819 2/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
USP7 Q93009 1/20 0.37

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
SCHEMBL28709548 0.93 NPC1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18015147 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19794502 0.88 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1370426 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18327318 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18327319 0.87 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18327645 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18327643 0.87 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL24608399 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17343296 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD

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-114096528-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2022-02-25 CN disclosed