SCHEMBL28465259

SCHEMBL28465259

COC(Nc1ncccn1)(OC)c1ccccc1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
VNN1 O95497 1/20 0.36
KCNN4 O15554 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CDC7 O00311 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
GSK3B P49841 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ACP1 P24666 1/20 0.33
GAA P10253 1/20 0.33
CES1 P23141 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL28370279 0.98 KDM4E (0.44) KDM4EVNN1KCNN4HDAC3HDAC1
SCHEMBL11983162 0.75 KCNN4 (0.41) KDM4EKCNN4GAACES1MAPK1
SCHEMBL28428182 0.75 EGFR (0.40) KDM4EGAA
SCHEMBL2874305 0.73 HDAC3 (0.57) KDM4EVNN1KCNN4HDAC3HDAC1
SCHEMBL6028112 0.72 CHRM2 (0.35) KDM4ECHRM2
SCHEMBL17758245 0.70 KCNN4 (0.52) KCNN4GAACES1MAPK1
SCHEMBL11328818 0.67 KCNN4 (0.44) KDM4EKCNN4CES1MAPK1
SCHEMBL10823645 0.67 KDM4E (0.45) KDM4EVNN1HDAC3HDAC1HDAC2
SCHEMBL28494046 0.66 MAPK1 (0.37) KDM4EKCNN4CES1MAPK1CHRM2
SCHEMBL29138685 0.64 KCNN4 (0.52) KCNN4HDAC3HDAC1HDAC2HDAC6

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-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
CN-104263126-A Environment-friendly antibacterial paint QINGYANG SHUANGLONG COATING CO LTD 2015-01-07 CN disclosed