SCHEMBL13429730

SCHEMBL13429730

CO[Si](OC)(OC)c1cc(-c2cc(Br)cc(-c3cccc(Br)c3)c2)cc(-c2cc(Br)cc(-c3cccc(Br)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 8/20 0.47
GABRB3 P28472 8/20 0.47
GABRA5 P31644 8/20 0.47
GABRA3 P34903 8/20 0.47
GABRA1 P14867 7/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2A7 P20853 1/20 0.40
CYP3A7 P24462 1/20 0.40
CYP2F1 P24903 1/20 0.40
CYP2C18 P33260 1/20 0.40

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
SCHEMBL13429623 0.84 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2324534 0.77 ALDH1A1 (0.43) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL16675055 0.77 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1345303 0.77 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29696912 0.77 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL16675046 0.77 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3886549 0.74 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL13429719 0.74 IDO1 (0.33) GABRG2GABRB3GABRA5GABRA3NPC1
SCHEMBL15624388 0.74 ALDH1A1 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29398919 0.74 ALDH1A1 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1

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-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed