SCHEMBL8217577

SCHEMBL8217577

CCCCCCCCC1=C([Si](NC(C)(C)C)(c2ccccc2)c2ccccc2)CC=C1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.32
HTR2A P28223 1/20 0.32
DNM1 Q05193 2/20 0.31
KCNH2 Q12809 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
HTT P42858 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8214795 1.00 DHFR (0.32) DHFRHTR2ADNM1KCNH2MEN1
SCHEMBL8215717 0.99 SIGMAR1 (0.30)
SCHEMBL8218267 0.95
SCHEMBL8218131 0.87 NPC1 (0.32) DHFRHTR2ADNM1KCNH2MEN1
SCHEMBL8215488 0.87 NPC1 (0.32) DHFRHTR2ADNM1KCNH2MEN1
SCHEMBL8208227 0.85 NPC1 (0.30) NPC1ALDH1A1
SCHEMBL8216453 0.84 DHFR (0.32) DHFRHTR2ADNM1KCNH2MEN1
SCHEMBL8218873 0.84 KCNH3 (0.35) DHFRHTR2ADNM1KCNH2MEN1
SCHEMBL8216356 0.84 DHFR (0.32) DHFRHTR2ADNM1KCNH2MEN1
SCHEMBL8207977 0.84 KCNH3 (0.35) DHFRHTR2ADNM1KCNH2MEN1

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
US-6136995-A Process for producing aminosilane compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-24 US disclosed