SCHEMBL2844589

SCHEMBL2844589

CCCCCCN(CCO)c1nc(CCCCCCNCCO)nc(N(CCO)CCCCCC)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 13/20 0.50
KMT2A Q03164 1/20 0.38
S1PR2 O95136 3/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
S1PR4 O95977 2/20 0.31

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
SCHEMBL2841760 0.95 SLC29A1 (0.49) SLC29A1KMT2AALDH1A1TSHRHRH4
SCHEMBL2835529 0.92 SLC29A1 (0.48) SLC29A1KMT2AS1PR2S1PR1S1PR3
SCHEMBL2838660 0.86 SLC29A1 (0.47) SLC29A1KMT2ACCNE2CCNE1CDK2
SCHEMBL12727237 0.86 SLC29A1 (0.51) SLC29A1KMT2AALDH1A1TSHR
SCHEMBL12727240 0.86 SLC29A1 (0.51) SLC29A1KMT2AALDH1A1TSHR
SCHEMBL12727239 0.86 SLC29A1 (0.51) SLC29A1KMT2AALDH1A1TSHR
SCHEMBL2844587 0.80 SLC29A1 (0.57) SLC29A1KMT2AALDH1A1TSHR
SCHEMBL13597454 0.74 KMT2A (0.55) SLC29A1KMT2A
SCHEMBL17817154 0.74 SLC29A1 (0.67) SLC29A1KMT2A
SCHEMBL2841753 0.73 SLC29A1 (0.57) SLC29A1KMT2AALDH1A1TSHR

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