SCHEMBL2844610

SCHEMBL2844610

CN(CCO)c1nc(N)nc(CNCCO)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
TSHR P16473 1/20 0.33
PTPN1 P18031 1/20 0.31
SLC29A1 Q99808 2/20 0.31
TERT O14746 1/20 0.31
PNP P00491 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2843828 0.89 CA12 (0.39) CA12CA1CA2CA9SLC29A1
SCHEMBL15789176 0.79 SLC29A1 (0.41) CA12CA1CA2CA9TSHR
SCHEMBL2844607 0.79 CA12 (0.44) CA12CA1CA2CA9TSHR
SCHEMBL1033204 0.73 SLC29A1 (0.53) CA12CA1CA2CA9TSHR
SCHEMBL1031875 0.69 CA12 (0.46) CA12CA1CA2CA9SLC29A1
SCHEMBL13873109 0.67 HRH3 (0.39) TSHR
SCHEMBL2838660 0.66 SLC29A1 (0.47) SLC29A1
SCHEMBL1033546 0.66 CA1 (0.47) CA12CA1CA2CA9SLC29A1
SCHEMBL2218301 0.66 KMT2A (0.46) CA12CA1CA2CA9SLC29A1
SCHEMBL27391076 0.65 CA1 (0.58) CA12CA1CA2CA9KDM4E

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-2010066686-A2 NOVEL TRIAZINE POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BOREALIS AGROLINZ MELAMINE GMBH (AT) 2010-06-17 WO claimed
WO-2010066686-A2 NOVEL TRIAZINE POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BOREALIS AGROLINZ MELAMINE GMBH (AT) 2010-06-17 WO disclosed