SCHEMBL791472

SCHEMBL791472

O=c1[nH]c2cc(Cl)c(I)cc2cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.44
GRIN3B O60391 7/20 0.44
GRIN1 Q05586 7/20 0.44
GRIN2A Q12879 7/20 0.44
GRIN2B Q13224 7/20 0.44
GRIN2C Q14957 7/20 0.44
GRIN3A Q8TCU5 7/20 0.44
GRIA1 P42261 3/20 0.44
GRIA2 P42262 3/20 0.44
GRIA3 P42263 3/20 0.44
GRIA4 P48058 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1291837 0.75 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8655013 0.74 MAPK1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28664360 0.72 DAO (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL791237 0.71 F11 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL790373 0.71 PARG (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31143054 0.71 DAO (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10140668 0.71 DAO (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2463866 0.71 DAO (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24665043 0.69 CHEK1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19207400 0.68 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed