SCHEMBL7877837

SCHEMBL7877837

CCCCO[Si](OCCCC)(OCCCC)c1ccc(S(=O)(=O)N=[N+]=[N-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABCB1 P08183 2/20 0.31
ABCC1 P33527 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
SCHEMBL7628196 0.92 CA1 (0.33) TSHRCA1CA2CA9CA12
SCHEMBL7622816 0.89 TSHR (0.36) TSHRCA1CA2CA9CA12
SCHEMBL7869260 0.86 ABCB1 (0.33) TSHRCA1CA2CA9CA12
SCHEMBL7630010 0.85 BCL2L1 (0.30) CA1CA2CA9CA12CA7
SCHEMBL7878030 0.81 CA1 (0.32) CA1CA2CA9CA12CA7
SCHEMBL7628576 0.77
SCHEMBL7629937 0.77 F2 (0.33) CA1CA2CA9CYP1A2CYP3A4
SCHEMBL7878015 0.77
SCHEMBL7877836 0.77 ABCB1 (0.34) TSHRCA1CA2CA9CA12
SCHEMBL14798777 0.77 CA2 (0.40) TSHRCA1CA2CA9CA12

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-6331597-B1 Azidosilane-modified, moisture-curable polyolefin polymers, process for making, and articles obtained therefrom THE DOW CHEMICAL COMPANY 2001-12-18 US disclosed