SCHEMBL4527178

SCHEMBL4527178

CCCC[Si](O)(O)CCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
EPHX1 P07099 1/20 0.50
GABBR2 O75899 1/20 0.41
GABRR1 P24046 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
NFKB1 P19838 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL4522702 0.98 DNM1 (0.55) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4525990 0.88 DNM1 (0.48) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4528172 0.88 DNM1 (0.48) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4513305 0.88 DNM1 (0.48) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4519999 0.87 NFKB1 (0.47) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4530239 0.84 DNM1 (0.50) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4533833 0.84 DNM1 (0.50) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4520467 0.84 DNM1 (0.50) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4522506 0.84 DNM1 (0.50) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4533546 0.84 DNM1 (0.50) DNM1ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 US disclosed