SCHEMBL3842937

SCHEMBL3842937

CCOC(=O)C(C)(C)Sc1ccc(OCCCNCCCCCCCc2nn(C)c(=O)n(C)c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK14 Q16539 2/20 0.35
TP53 P04637 1/20 0.34
LMNA P02545 3/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3844501 0.90 KDM4E (0.35) LTA4HALDH1A1TP53POLBSMN1; SMN2
SCHEMBL3840687 0.88 POLB (0.36) LTA4HALDH1A1TP53POLBSMN1; SMN2
SCHEMBL3842934 0.79 SLC2A1 (0.38) MAPK14LMNASMN1; SMN2HTTRAB9A
SCHEMBL3845617 0.78 PPARA (0.42)
SCHEMBL3285973 0.77 MAPK14 (0.36) ALDH1A1MAPK14SMN1; SMN2HTT
SCHEMBL3286654 0.76 MAPK14 (0.38) ALDH1A1MAPK14SMN1; SMN2HTT
SCHEMBL3284982 0.75 SMPD1 (0.38) ALDH1A1MAPK14TP53SMN1; SMN2HTT
SCHEMBL3842898 0.72 PDE5A (0.37) ALDH1A1MAPK14POLBMEN1KMT2A
SCHEMBL3850653 0.71 PPARA (0.39) ALDH1A1MAPK14POLBMEN1KMT2A
SCHEMBL4912505 0.71 PPARA (0.37) ALDH1A1MAPK14TP53POLBMEN1

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-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed