SCHEMBL28041437

SCHEMBL28041437

Nc1cccc2nc(-c3ccccc3)c(-c3ccc(O)cc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.67
ADORA1 P30542 3/20 0.48
ADORA2A P29274 2/20 0.48
MAPT P10636 2/20 0.47
PIK3CG P48736 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
DHODH Q02127 1/20 0.44
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
ATM Q13315 1/20 0.42
TLR9 Q9NR96 1/20 0.42
MMP3 P08254 1/20 0.42
BCL2L1 Q07817 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL28041439 1.00 KMT2A (0.67) KMT2AMEN1ADORA1ADORA2AMAPT
SCHEMBL13172436 0.95 MEN1 (0.58) KMT2AMEN1ADORA1ADORA2AMAPT
SCHEMBL4187116 0.92 KMT2A (0.53) KMT2AMEN1ADORA1ADORA2AMAPT
SCHEMBL2862813 0.90 KMT2A (0.54) KMT2AMEN1ADORA1ADORA2AMAPT
SCHEMBL28037464 0.87 KMT2A (0.53) KMT2AMEN1ADORA2AMAPTPIK3CG
SCHEMBL28037446 0.87 KMT2A (0.53) KMT2AMEN1ADORA2AMAPTPIK3CG
SCHEMBL28037618 0.84 KMT2A (0.71) KMT2AMEN1ADORA1ADORA2AMAPT
SCHEMBL8407376 0.84 KMT2A (0.71) KMT2AMEN1ADORA1ADORA2AMAPT
SCHEMBL8407229 0.81 KMT2A (0.67) KMT2AMEN1ADORA1ADORA2AMAPT
SCHEMBL8407359 0.81 KMT2A (1.00) KMT2AMEN1ADORA1ADORA2AMAPT

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
CN-105111199-B Single phenol monoamine type quinoxalinyl benzoxazine and preparation method thereof 哈尔滨工程大学 2017-11-28 CN disclosed
CN-105111199-A Monophenol-monoamine type quinoxalinyl benzoxazine and preparation method therefor UNIV HARBIN ENG 2015-12-02 CN disclosed