SCHEMBL28426697

SCHEMBL28426697

CCOC(=O)c1nc2ccccc2nc1Nc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 8/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
TP53 P04637 3/20 0.54
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 1/20 0.52
PIM1 P11309 3/20 0.50
TRPV1 Q8NER1 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ABCB1 P08183 1/20 0.49
HTT P42858 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL28423622 0.88 MAPT (0.67) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL28424900 0.87 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL28423637 0.86 MAPT (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13405543 0.84 MAPT (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL28421857 0.82 SMN1; SMN2 (0.65) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4741860 0.81 MAPT (0.80) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL28427773 0.80 MAPT (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL28429344 0.79 TP53 (0.67) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL17432159 0.76 MEN1 (0.79) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13405572 0.76 MAPT (0.53) MEN1KMT2AMAPTALDH1A1KDM4E

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-110981819-B Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2022-07-01 CN disclosed
CN-110981819-A Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2020-04-10 CN disclosed