SCHEMBL28850818

SCHEMBL28850818

CCCCCCCCCCCCCCCCCCNC(CCN)OCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.42
DPP7 Q9UHL4 1/20 0.40
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
DNM1 Q05193 9/20 0.37
EPHX1 P07099 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
Fluoride SCHEMBL28238668 0.98 RRM1 (0.41) RRM1DPP7GNAI3GNAO1GNAI1
Fluoride SCHEMBL28238669 0.86 DNM1 (0.39) RRM1GNAI3GNAO1GNAI1DNM1
SCHEMBL10946124 0.81 DNM1 (0.46) RRM1DPP7DNM1EPHX1MEN1
SCHEMBL27910203 0.77 SLC6A5 (0.44) RRM1MEN1KMT2AALDH1A1
SCHEMBL8166834 0.75 RRM1 (0.49) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL918437 0.75 RRM1 (0.49) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL11775651 0.75 RRM1 (0.49) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL29002300 0.74 LMNA (0.50) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL29002312 0.74 LMNA (0.50) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL29002319 0.74 LMNA (0.50) RRM1DPP7GNAI3GNAO1GNAI1

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-108472215-A Include the striped dentifrice composition of zinc 高露洁-棕榄公司 2018-08-31 CN disclosed
CN-108289802-A Include the oral care composition of chitosan and silica 高露洁-棕榄公司 2018-07-17 CN disclosed
CN-107427428-A Gargle liquid formulation 加巴国际股份有限公司 2017-12-01 CN disclosed