SCHEMBL6158328

SCHEMBL6158328

O=C1C(c2ccccc2)NCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.47
ACHE P22303 1/20 0.45

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 SCHEMBL3821366 0.99 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL6160737 0.84 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL3814180 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL21124439 0.77 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL4626322 0.77 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL3835927 0.75 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL27601652 0.74 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL3821830 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL2360974 0.73 ALDH1A1 (0.84) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL10913550 0.72 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1SMN1; 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