SCHEMBL5693725

SCHEMBL5693725

C(=N\CC/N=C\c1cccc2ccccc12)\c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.53
▸ CA2 P00918 5/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GRIN2D O15399 2/20 0.53
▸ GRIN3B O60391 2/20 0.53
▸ GRIN1 Q05586 2/20 0.53
▸ GRIN2A Q12879 2/20 0.53
▸ GRIN2B Q13224 2/20 0.53
▸ GRIN2C Q14957 2/20 0.53
▸ GRIN3A Q8TCU5 2/20 0.53
▸ TSHR P16473 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CA9 Q16790 4/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ GCGR P47871 1/20 0.43
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL5588598 1.00 CA12 (0.53) CA12CA2KDM4EGRIN2DGRIN3B
SCHEMBL5590740 0.92 CA12 (0.56) CA12CA2KDM4EGRIN2DGRIN3B
SCHEMBL5693805 0.92 CA12 (0.56) CA12CA2KDM4EGRIN2DGRIN3B
SCHEMBL474245 0.89 GRIN2D (0.51) CA12CA2KDM4EGRIN2DGRIN3B
SCHEMBL474244 0.89 GRIN2D (0.51) CA12CA2KDM4EGRIN2DGRIN3B
SCHEMBL27778326 0.89 GRIN2D (0.51) CA12CA2KDM4EGRIN2DGRIN3B
SCHEMBL29133877 0.82 GRIN2D (0.45) CA12CA2KDM4EGRIN2DGRIN3B
SCHEMBL29133880 0.82 GRIN2D (0.45) CA12CA2KDM4EGRIN2DGRIN3B
SCHEMBL14608982 0.81 MAPT (0.58) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30482181 0.81 MAPT (0.58) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 — — EP claimed
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