SCHEMBL28211409

SCHEMBL28211409

[CH2]c1c(O)c2cc(NC(=O)c3ccccc3)ccc2n(C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.56
NGFR P08138 1/20 0.56
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
BRD4 O60885 1/20 0.44
EGFR P00533 2/20 0.44
SRC P12931 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
RORC P51449 1/20 0.44
BRPF1 P55201 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL28211430 0.84 NTRK1 (0.54) NTRK1NGFRMAPTPOLBNPC1
SCHEMBL19086870 0.83 NPC1 (0.53) NTRK1NGFRMAPTPOLBNPC1
SCHEMBL28825720 0.82 NTRK1 (0.53) NTRK1NGFRMAPTPOLBNPC1
SCHEMBL17578567 0.80 HIF1A (0.67) NPC1RAB9AKMT2AMEN1
SCHEMBL4727925 0.78 NPY5R (0.65) NTRK1NGFRMAPTNPC1RAB9A
SCHEMBL7975873 0.74 MAPT (0.52) NTRK1NGFRMAPTPOLBNPC1
SCHEMBL28211432 0.73 ALDH1A1 (0.61) MAPTPOLBNPC1RAB9AKMT2A
SCHEMBL19113738 0.73 HIF1A (0.52) NTRK1NGFRMAPTPOLBNPC1
SCHEMBL2727308 0.72 NTRK1 (1.00) NTRK1NGFRMAPTPOLBNPC1
SCHEMBL7873648 0.71 NTRK1 (0.53) NTRK1NGFRMAPTPOLBNPC1

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-105384687-B Quinolinones compound and its applied in medicine 广东东阳光药业有限公司 2018-05-01 CN disclosed