SCHEMBL6201775

SCHEMBL6201775

O=C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N]CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.61
PKM P14618 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
GBA1 P04062 1/20 0.48

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
SCHEMBL17007463 0.92 ALDH1A1 (0.75) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL2360974 0.83 ALDH1A1 (0.84) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL5347059 0.80 ALDH1A1 (0.97) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL28137833 0.79 ALDH1A1 (1.00) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL7589260 0.78 POLB (0.64) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL7589283 0.78 POLB (0.64) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL7647475 0.77 ALDH1A1 (0.75) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL9976087 0.76 ALDH1A1 (0.73) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL2061369 0.76 PKM (0.76) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL2062534 0.76 POLB (0.75) ALDH1A1LMNAPKMMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381392-A4 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS CORP (KR) 2005-03-23 EP disclosed
EP-1381392-A1 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS Corporation (KR) 2004-01-21 EP disclosed
WO-2002085413-A1 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS CORPORATION (KR) 2002-10-31 WO disclosed