SCHEMBL28115077

SCHEMBL28115077

O=C(OCOc1ccc(F)cc1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.68
ATM Q13315 1/20 0.68
LMNA P02545 7/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL28115079 0.86 KMT2A (0.68) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL28115078 0.86 LMNA (0.65) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL29603721 0.81 KMT2A (1.00) KMT2AATMLMNACYP1A2CYP2C9
SCHEMBL28115080 0.77 ALDH1A1 (0.59) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL28246626 0.77 KMT2A (0.58) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL13195186 0.76 ALDH1A1 (0.67) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL17294235 0.76 KMT2A (0.64) KMT2AATMLMNAL3MBTL1CYP1A2
SCHEMBL25009812 0.75 L3MBTL1 (0.76) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL30556174 0.75 L3MBTL1 (0.76) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL8537983 0.75 ALDH1A1 (0.69) KMT2AATMLMNAL3MBTL1CYP1A2

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-106146490-A 5-hydroxyl-1,7-naphthyridine compounds, its preparation method and the pharmaceutical applications thereof replaced by aryloxy group or heteroaryloxy 沈阳三生制药有限责任公司 2016-11-23 CN disclosed