SCHEMBL29274252

SCHEMBL29274252

CS(=O)(=O)c1ccc(Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
RAB9A P51151 1/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PTGS2 P35354 3/20 0.46
PTGS1 P23219 1/20 0.46
VCAM1 P19320 1/20 0.45
PKM P14618 2/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42

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
SCHEMBL12594065 0.81 PDK1 (0.49) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL10654709 0.80 TSHR (0.53) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2245970 0.78 PKM (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL28032176 0.78 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL29020321 0.78 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5248985 0.78 CYP1A2 (0.59) KMT2AMEN1ALDH1A1MAPTMAPK1
Methoxymethane SCHEMBL27522023 0.77 CYP1A2 (0.54) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL29274258 0.77 RAB9A (0.50) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL25933630 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11973713 0.76 CYP1A2 (0.57) 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
CN-118239888-A Modularized synthesis method and application of acridine compound 厦门大学 2024-06-25 CN disclosed