SCHEMBL6160863

SCHEMBL6160863

O=C1CNCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.37
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR6 P50406 1/20 0.32

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 SCHEMBL3821525 0.99 VCAM1 (0.36) VCAM1NPBWR1MCHR1USP2MAPT
SCHEMBL6159946 0.88 GAA (0.37) VCAM1NPBWR1MCHR1USP2ALDH1A1
Hydrochloric Acid SCHEMBL3813080 0.87 GAA (0.36) VCAM1NPBWR1MCHR1USP2ALDH1A1
SCHEMBL6159541 0.81 KIF18A (0.45) VCAM1USP2MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL3818307 0.80 KIF18A (0.44) VCAM1USP2MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL6108089 0.73 ALDH1A1 (0.48) USP2ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3835927 0.73 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3821830 0.72 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6159851 0.71 EPHX2 (0.46) MAPTALDH1A1LMNASMN1; SMN2MITF
SCHEMBL6160518 0.71 MCOLN3 (0.57) ALDH1A1LMNAMAPK1SMN1; SMN2TSHR

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
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