SCHEMBL28567244

SCHEMBL28567244

COC(=O)CC1C(=O)Nc2cc(OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 1/20 0.51
CDYL Q9Y232 1/20 0.51
EGFR P00533 1/20 0.48
GAA P10253 4/20 0.46
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.40
HTR7 P34969 1/20 0.40
CA2 P00918 1/20 0.39

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
SCHEMBL2526545 0.88 CDYL2 (0.52) CDYL2CDYLEGFRGAAMAPT
SCHEMBL7383444 0.86 CDYL2 (0.54) CDYL2CDYLGAAMAPTTP53
SCHEMBL28913497 0.84 CDYL2 (0.54) CDYL2CDYLEGFRGAAMAPT
SCHEMBL8998987 0.80 EGFR (0.72) EGFRGAAMAPTHSD17B10HTT
SCHEMBL14484996 0.77 CDYL2 (0.58) CDYL2CDYLEGFRMAPTTP53
SCHEMBL7385586 0.76 CDYL2 (0.60) CDYL2CDYLMAPTTP53KMT2A
SCHEMBL1129626 0.76 HTR7 (0.49) CDYL2CDYLGAAMAPTTP53
SCHEMBL3201173 0.76 EGFR (0.65) EGFRGAAMAPTHSD17B10HTT
SCHEMBL7382582 0.76 CDYL2 (0.57) CDYL2CDYLMAPTTP53KMT2A
SCHEMBL7072903 0.75 USP2 (0.41) GAATP53USP2KMT2AHSD17B10

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-108863899-B Synthetic method and application of indoline-2-ketone compound 中国科学院兰州化学物理研究所 2021-05-28 CN disclosed