SCHEMBL28115079

SCHEMBL28115079

COc1ccc(OCOC(=O)c2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.68
LMNA P02545 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 3/20 0.56
USP2 O75604 1/20 0.56
MEN1 O00255 2/20 0.55
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 1/20 0.50

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
SCHEMBL28115077 0.86 KMT2A (0.68) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL28115078 0.86 LMNA (0.65) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL14937230 0.83 KMT2A (0.72) KMT2ALMNAL3MBTL1ALDH1A1TDP1
SCHEMBL13195186 0.82 ALDH1A1 (0.67) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL31006272 0.81 KMT2A (1.00) KMT2ALMNACYP1A2CYP2C9TSHR
SCHEMBL23432070 0.80 ALDH1A1 (0.63) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL28085654 0.78 HDAC3 (0.61) KMT2ALMNAL3MBTL1ALDH1A1USP2
SCHEMBL13195870 0.78 L3MBTL1 (0.61) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL28115080 0.77 ALDH1A1 (0.59) KMT2ALMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL28246626 0.77 KMT2A (0.58) KMT2ALMNAL3MBTL1CYP1A2CYP2C9

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