SCHEMBL28707488

SCHEMBL28707488

COc1ccc(OC(=O)c2cccnc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
P2RX7 Q99572 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 7/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
CRHBP P24387 1/20 0.45

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
SCHEMBL980115 0.87 ALDH1A1 (0.63) KMT2AMEN1P2RX7LMNACYP1A2
SCHEMBL15819777 0.86 TDP1 (0.52) KMT2AMEN1P2RX7CYP1A2CYP2C9
SCHEMBL1248162 0.80 P2RX7 (0.66) P2RX7LMNAALDH1A1HTTTDP1
SCHEMBL27819878 0.80 P2RX7 (0.66) P2RX7LMNAALDH1A1HTTTDP1
Methyl Alcohol SCHEMBL27938435 0.78 P2RX7 (0.64) P2RX7LMNAALDH1A1HTTTDP1
SCHEMBL19191513 0.77 MAPT (0.63) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL28760397 0.77 P2RX7 (0.50) KMT2AMEN1SMN1; SMN2P2RX7LMNA
Iodide SCHEMBL19357606 0.76 P2RX7 (0.61) KMT2ASMN1; SMN2P2RX7LMNAMAPT
SCHEMBL23830170 0.75 P2RX7 (0.59) KMT2ASMN1; SMN2P2RX7LMNAMAPT
SCHEMBL16118581 0.75 P2RX7 (0.64) SMN1; SMN2P2RX7LMNAMAPTNPC1

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-108884047-B Intermediates for the synthesis of aryl or heteroaryl substituted 5-hydroxy-1, 7-naphthyridine compounds and methods for their preparation 沈阳三生制药有限责任公司 2022-03-08 CN disclosed