SCHEMBL29620550

SCHEMBL29620550

c1ccc(-c2cc(-c3ccoc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
HPGD P15428 4/20 0.55
NTSR1 P30989 1/20 0.55
ADORA2A P29274 3/20 0.52
ADORA1 P30542 2/20 0.52
CYP2D6 P10635 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
VCP P55072 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2B P29275 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL29620541 0.84 CYP1A2 (0.58) MEN1KMT2AALDH1A1MAPTADORA2A
SCHEMBL438540 0.82 MEN1 (0.75) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL29620537 0.80 KMT2A (0.52) MEN1KMT2AALDH1A1MAPTADORA2A
SCHEMBL17367827 0.80 MEN1 (0.79) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17970040 0.80 MEN1 (0.79) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17367816 0.80 MEN1 (0.79) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL13113782 0.80 MEN1 (0.72) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL12306206 0.78 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17725321 0.78 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL13492075 0.78 MEN1 (0.76) 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-114555566-A Organic compound and organic electroluminescent element comprising same 索路思高新材料有限公司 2022-05-27 CN disclosed