SCHEMBL30427646

SCHEMBL30427646

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
NPY5R Q15761 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTGER4 P35408 6/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NTSR1 P30989 1/20 0.37
TSPO P30536 1/20 0.36
GLA P06280 1/20 0.36
RAC2 P15153 1/20 0.35
RAC3 P60763 1/20 0.35
CDC42 P60953 1/20 0.35

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
SCHEMBL21965521 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21965215 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL30427287 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21965206 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21903336 0.98 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL30118241 0.98 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21965213 0.98 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21903329 0.98 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10246753 0.95 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21965203 0.94 NPY5R (0.38) 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-116199673-A Triazine compound, material for organic device, organic electroluminescent element, display device, and lighting device 爱思开新材料捷恩智株式会社 2023-06-02 CN disclosed