SCHEMBL12071122

SCHEMBL12071122

C=Nc1ccc(/N=N/c2nc(CC(=O)OCC)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
ESR2 Q92731 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL12071000 0.88 KMT2A (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14866754 0.74 SHMT2 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13645970 0.73 LMNA (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL25015129 0.73 GAA (0.57) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1107420 0.72 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15752661 0.72 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13661818 0.71 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1525238 0.71 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11012092 0.71 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12071010 0.71 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTLMNA

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-2011157614-A1 BLACK DICHROIC DYE BASF SE (DE) 2011-12-22 WO disclosed