SCHEMBL17263232

SCHEMBL17263232

CCCN(CCNCCN)[SiH2]OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 3/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
LMNA P02545 2/20 0.34
CA2 P00918 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA5A P35218 2/20 0.34
CA1 P00915 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL28437592 0.81
SCHEMBL3504057 0.78 CYP2C9 (0.40) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL323203 0.70 CYP2C19 (0.56) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL15605733 0.69
SCHEMBL23489534 0.69 CYP2C19 (0.54) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL14980613 0.69 CYP2C19 (0.54) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL8407862 0.69 CYP2C19 (0.60) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL6521771 0.68 CYP2C9 (0.44) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL2461704 0.68 CYP2C9 (0.44) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL8350386 0.67 CYP2C19 (0.52) CYP2C9CYP2C19CA12CA6CA7

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
WO-2015175850-A1 RESIN-COATED SUBSTRATE COMPOSITIONS AND METHODS OF MAKING THE SAME U.S. SILICA COMPANY (US) 2015-11-19 WO disclosed