SCHEMBL28286807

SCHEMBL28286807

COC(=O)c1ccc2[nH]c(=O)n(-c3ccccc3C)c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 5/20 0.52
HSD17B10 Q99714 5/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 4/20 0.49
LMNA P02545 2/20 0.49
KIF11 P52732 2/20 0.48
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 1/20 0.47
PARP1 P09874 1/20 0.45
FLT3 P36888 1/20 0.45
PKM P14618 2/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
FTO Q9C0B1 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 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
SCHEMBL2115896 0.77 KDM4E (0.58) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8977246 0.77 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL12727456 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL6243745 0.75 MAPT (0.60) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL2115751 0.75 ALDH1A1 (0.78) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL31393152 0.74 RAB9A (0.55) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL5469005 0.74 KDM4E (0.61) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL7191192 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL30032182 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL28063129 0.72 KIF11 (0.70) ALDH1A1KDM4EHSD17B10HPGDKMT2A

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-109503556-A Quinazoline -2,4- derovatives and its preparation method and application 东莞东阳光科研发有限公司 2019-03-22 CN disclosed