SCHEMBL21895103

SCHEMBL21895103

CC1(C)CC(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)nc(-c3ccccc3)n2)CC(C)(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
RAD52 P43351 1/20 0.52
GFER P55789 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
IDH1 O75874 3/20 0.48
KCNH2 Q12809 2/20 0.46
KDM1A O60341 1/20 0.44
EZH2 Q15910 3/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
ACP1 P24666 2/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL16927897 0.87 MEN1 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL16928376 0.85 MEN1 (0.42) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL3079982 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4488019 0.78 MEN1 (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8960862 0.76 WHR1 (0.54) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL21895098 0.76 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL21895102 0.76 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL16928317 0.76 MAPK14 (0.38) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL19873449 0.76 KCNH2 (0.37) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL23686232 0.75 RAB9A (0.61) KMT2AMEN1ALDH1A1LMNAMAPT

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-2020058338-A1 USE OF A LOW MOLECULAR WEIGHT TRIAZINE BASED COMPOUND AS THERMAL / LIGHT STABILIZER IN POLYMERS BOREALIS AG (AT) 2020-03-26 WO disclosed