SCHEMBL2107697

SCHEMBL2107697

C[Si](C)(C)C#Cc1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.37
P2RY6 Q15077 2/20 0.35
GRM6 O15303 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
PTPN11 Q06124 1/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP2C9 P11712 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
ADRA2A P08913 1/20 0.31
DRD5 P21918 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL15218940 0.83 TSHR (0.53) VCAM1TSHRCYP3A4MAPTALDH1A1
SCHEMBL30413307 0.81 ALDH1A1 (0.51) VCAM1TSHRCYP3A4TDP1CYP2C9
SCHEMBL17875627 0.81 ALDH1A1 (0.51) VCAM1TSHRCYP3A4TDP1CYP2C9
SCHEMBL6380480 0.81 S100A4 (0.40) VCAM1CYP1A2
SCHEMBL709464 0.79 ALDH1A1 (0.42) VCAM1TDP1MAPTHPGDALDH1A1
SCHEMBL1796916 0.79 VCAM1 (0.53) VCAM1GRM6GRIA1GRIA2GRIA3
SCHEMBL13931955 0.79 ALDH1A1 (0.47) POLBMAPTALDH1A1
SCHEMBL38666571 0.78 VCAM1 (0.39) VCAM1POLBALDH1A1
SCHEMBL2910616 0.77 HSD17B10 (0.46) TSHRCYP3A4TDP1CYP2C9MAPT
SCHEMBL6380083 0.77 CASP3 (0.38) VCAM1TDP1MAPTALDH1A1HSD17B10

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
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
WO-2005114708-A2 CARBON NANOTUBE-SILICON COMPOSITE STRUCTURES AND METHODS FOR MAKING SAME WILLIAM MARSH RICE UNIVERSITY (US) 2005-12-01 WO disclosed