SCHEMBL6953743

SCHEMBL6953743

NNCNc1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.37
▸ PARP15 Q460N3 9/20 0.36
▸ PARP10 Q53GL7 7/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ BRAF P15056 1/20 0.34
▸ DAO P14920 2/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ PARP3 Q9Y6F1 1/20 0.33
▸ IP6K1 Q92551 1/20 0.32

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
SCHEMBL6955664 0.81 IP6K1 (0.43) PIK3CDKDM4EIP6K1
SCHEMBL3277310 0.80 HSD17B10 (0.46) PIK3CDKDM4EHSD17B10PARP15PARP10
SCHEMBL3069941 0.79 PIK3CD (0.47) PIK3CDKDM4EHSD17B10PARP15PARP10
SCHEMBL438637 0.79 AR (0.47) PIK3CDKDM4EHSD17B10PARP15PARP10
SCHEMBL3088454 0.77 PIK3CD (0.51) PIK3CDKDM4EHSD17B10PARP15PARP10
SCHEMBL3090005 0.76 PIK3CD (0.53) PIK3CDKDM4EHSD17B10PARP15PARP10
SCHEMBL8057185 0.75 CA12 (0.44) PIK3CDKDM4EHSD17B10PARP15PARP10
SCHEMBL5917486 0.74 KDM4E (0.52) PIK3CDKDM4EHSD17B10PARP15PARP10
SCHEMBL11262249 0.73 PIK3CD (0.36) PIK3CDKDM4EHSD17B10PARP15PARP10
SCHEMBL7070839 0.72 KDM4E (0.50) PIK3CDKDM4EHSD17B10PARP15PARP10

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-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
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