SCHEMBL6955664

SCHEMBL6955664

NNCc1ccc(CNc2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.43
▸ PIK3CD O00329 1/20 0.40
▸ MAOB P27338 1/20 0.38
▸ AR P10275 1/20 0.38
▸ HAO1 Q9UJM8 1/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ DHFR P00374 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ARG1 P05089 1/20 0.36

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
SCHEMBL6953743 0.81 PIK3CD (0.40) IP6K1PIK3CDKDM4E
SCHEMBL3277310 0.75 HSD17B10 (0.46) PIK3CDKDM4E
SCHEMBL3069941 0.74 PIK3CD (0.47) PIK3CDARKDM4E
SCHEMBL438637 0.74 AR (0.47) PIK3CDARKDM4E
SCHEMBL3088454 0.72 PIK3CD (0.51) PIK3CDARCA1CA2CA12
SCHEMBL2462735 0.71 LMNA (0.47) IP6K1KDM4E
SCHEMBL3090005 0.71 PIK3CD (0.53) PIK3CDARKDM4E
SCHEMBL8057185 0.70 CA12 (0.44) PIK3CDCA1CA2CA12CA9
SCHEMBL5917486 0.70 KDM4E (0.52) PIK3CDARKDM4E
SCHEMBL5069615 0.70 IP6K1 (0.52) IP6K1MAOBARHAO1DHFR

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-8183060-B2 comprises biotin covalently attached to a polymer that has monosaccharide or amino acid as a constituent monomer covalently attached to a luminescent substance (cyanoisoindoles, luminols, and acridinium esters); detecting a target substance at high sensitivity DAIICHI PURE CHEMICALS CO., LTD. (JP) 2012-05-22 — — US disclosed
US-8183060-B2 comprises biotin covalently attached to a polymer that has monosaccharide or amino acid as a constituent monomer covalently attached to a luminescent substance (cyanoisoindoles, luminols, and acridinium esters); detecting a target substance at high sensitivity DAIICHI PURE CHEMICALS CO., LTD. (JP) 2012-05-22 — — US disclosed
EP-1437594-B1 LUMINESCENT POLYMER AND USE THEREOF IN BIOASSAY SEKISUI MEDICAL CO LTD (JP) 2011-01-12 — — EP disclosed
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