SCHEMBL6159946

SCHEMBL6159946

Cc1cc(Cl)cc([N+](=O)[O-])c1S(=O)(=O)N1CCNCC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MCOLN3 Q8TDD5 3/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ VCAM1 P19320 2/20 0.34
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HRH4 Q9H3N8 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 SCHEMBL3813080 0.99 GAA (0.36) GAAALDH1A1LMNAMCOLN3CRHBP
SCHEMBL6160863 0.88 VCAM1 (0.37) GAAALDH1A1LMNAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL3821525 0.87 VCAM1 (0.36) GAAALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL6159541 0.79 KIF18A (0.45) ALDH1A1LMNAMCOLN3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL3818307 0.78 KIF18A (0.44) ALDH1A1LMNAMCOLN3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL27601649 0.76 ALDH1A1 (0.34) ALDH1A1LMNAMCOLN3CRHBPCRHR2
SCHEMBL6160518 0.74 MCOLN3 (0.57) GAAALDH1A1LMNAMCOLN3POLB
Hydrochloric Acid SCHEMBL3821417 0.74 MCOLN3 (0.56) GAAALDH1A1LMNAMCOLN3POLB
SCHEMBL3835927 0.71 ALDH1A1 (0.57) ALDH1A1LMNAPOLBSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL3821830 0.70 ALDH1A1 (0.56) ALDH1A1LMNAPOLBSMN1; SMN2L3MBTL1

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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