SCHEMBL1754836

SCHEMBL1754836

C[Si](C)(C)c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.39
TSHR P16473 4/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
PARP1 P09874 1/20 0.34
SNCA P37840 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD5 P21918 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR35 Q9HC97 1/20 0.33
GALR2 O43603 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 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
SCHEMBL6840900 0.76 TSHR (0.56) TSHRCYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL1185484 0.75 TSHR (0.60) TSHRCYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL14371934 0.74 MAPT (0.43) TSHRCYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL1665978 0.74 PARP1 (0.56) P2RY6TSHRCYP3A4TDP1ALDH1A1
SCHEMBL27317706 0.74 VCAM1 (0.39) P2RY6TSHRCYP3A4TDP1HSD17B10
SCHEMBL18234140 0.74 GAA (0.55) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL11027917 0.72 HSD17B10 (0.54) TSHRTDP1HSD17B10ALDH1A1RECQL
SCHEMBL31565807 0.72 HSD17B10 (0.54) TSHRTDP1HSD17B10ALDH1A1RECQL
SCHEMBL2107697 0.71 VCAM1 (0.37) P2RY6TSHRCYP3A4TDP1HSD17B10
SCHEMBL539833 0.71 VCAM1 (0.56) TSHRTDP1HSD17B10MAPK1

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-8158203-B2 Methods of attaching or grafting carbon nanotubes to silicon surfaces and composite structures derived therefrom WILLIAM MARSH RICE UNIVERSITY (US) 2012-04-17 US disclosed
US-20090042136-A1 Carbon Nanotube-Silicon Composite Structures and Methods for Making Same NATIONAL SCIENCE FOUNDATION 2009-02-12 US disclosed