SCHEMBL6160737

SCHEMBL6160737

CC1NCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 1/20 0.53
ACHE P22303 1/20 0.52
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NPC1 O15118 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.47

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
Hydrochloric Acid SCHEMBL3814180 0.99 ALDH1A1 (0.54) ALDH1A1LMNAPOLBSMN1; SMN2PKM
SCHEMBL6158328 0.84 ALDH1A1 (0.52) ALDH1A1LMNAPOLBSMN1; SMN2PKM
Hydrochloric Acid SCHEMBL3821366 0.83 ALDH1A1 (0.51) ALDH1A1LMNAPOLBSMN1; SMN2PKM
SCHEMBL4626322 0.82 ALDH1A1 (0.64) ALDH1A1LMNAPOLBSMN1; SMN2PKM
SCHEMBL21124439 0.82 ALDH1A1 (0.64) ALDH1A1LMNAPOLBSMN1; SMN2PKM
SCHEMBL3835927 0.76 ALDH1A1 (0.57) ALDH1A1LMNAPOLBSMN1; SMN2PKM
Hydrochloric Acid SCHEMBL3821830 0.75 ALDH1A1 (0.56) ALDH1A1LMNAPOLBSMN1; SMN2PKM
Hydrochloric Acid SCHEMBL27601651 0.75 ALDH1A1 (0.51) ALDH1A1LMNAPOLBSMN1; SMN2PKM
SCHEMBL2360974 0.74 ALDH1A1 (0.84) ALDH1A1LMNAPOLBSMN1; SMN2PKM
SCHEMBL10913550 0.73 ALDH1A1 (0.64) ALDH1A1LMNAPOLBSMN1; SMN2PKM

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-1470114-A4 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2005-05-11 EP disclosed
EP-1470114-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES Panagene, Inc. (KR) 2004-10-27 EP disclosed
WO-2003062212-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE, INC. (US) 2003-07-31 WO disclosed