SCHEMBL6160518

SCHEMBL6160518

Cc1ccc(S(=O)(=O)N2CCNCC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCOLN3 Q8TDD5 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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 SCHEMBL3821417 0.99 MCOLN3 (0.56) MCOLN3ALDH1A1SMN1; SMN2TSHRCYP3A4
SCHEMBL6159541 0.86 KIF18A (0.45) MCOLN3ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL6159851 0.86 EPHX2 (0.46) MCOLN3ALDH1A1SMN1; SMN2GAAMEN1
Hydrochloric Acid SCHEMBL3818307 0.85 KIF18A (0.44) MCOLN3ALDH1A1SMN1; SMN2KDM4ELMNA
Hydrochloric Acid SCHEMBL3814238 0.85 EPHX2 (0.45) MCOLN3ALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL6160034 0.83 SMN1; SMN2 (0.46) MCOLN3ALDH1A1SMN1; SMN2CYP3A4MEN1
SCHEMBL3835927 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2APKM
Hydrochloric Acid SCHEMBL3812575 0.82 SMN1; SMN2 (0.46) MCOLN3ALDH1A1SMN1; SMN2CYP3A4MEN1
Hydrochloric Acid SCHEMBL3821830 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL10739716 0.76 MCOLN3 (0.74) MCOLN3ALDH1A1SMN1; SMN2TSHRCYP3A4

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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