SCHEMBL28477237

SCHEMBL28477237

COC(OC)c1ccccc1C(N)=O.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.41
METAP2 P50579 1/20 0.41
GAA P10253 1/20 0.41
CTNNB1 P35222 1/20 0.41
BCAT2 O15382 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CFTR P13569 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8380942 0.98 IRAK4 (0.49) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL4114971 0.81 IRAK4 (0.51) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL27433644 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL3736565 0.80 IRAK4 (0.46) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL15190457 0.80 IRAK4 (0.46) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL10659307 0.79 ALDH1A1 (0.37) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6850542 0.79 CTSD (0.57) ALDH1A1KDM4EHSD17B10MAPTTSHR
SCHEMBL31632660 0.78 IRAK4 (0.55) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL105262 0.78 IRAK4 (0.55) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL28132011 0.77 IRAK4 (0.44) IRAK4ALDH1A1KDM4EHSD17B10MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111670912-A Synthetic method of water-soluble antibacterial mildew inhibitor containing graphene oxide and nano-silver 南京优写智能科技有限公司 2020-09-18 CN claimed
CN-112136821-A Reusable novel dehumidifying antibacterial agent and preparation method thereof 南京优写智能科技有限公司 2020-12-29 CN disclosed
CN-111670912-A Synthetic method of water-soluble antibacterial mildew inhibitor containing graphene oxide and nano-silver 南京优写智能科技有限公司 2020-09-18 CN disclosed