SCHEMBL6160034

SCHEMBL6160034

O=C1CNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 6/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ NFKBIA P25963 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ TYMS P04818 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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 SCHEMBL3812575 0.99 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMAPK1TDP1ALDH1A1
SCHEMBL6159851 0.85 EPHX2 (0.46) SMN1; SMN2LMNATDP1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL3814238 0.84 EPHX2 (0.45) SMN1; SMN2LMNATDP1ALDH1A1MEN1
SCHEMBL6160518 0.83 MCOLN3 (0.57) SMN1; SMN2LMNAMAPK1TDP1ALDH1A1
SCHEMBL6159541 0.83 KIF18A (0.45) SMN1; SMN2LMNAMAPK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3818307 0.82 KIF18A (0.44) SMN1; SMN2LMNAMAPK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3821417 0.82 MCOLN3 (0.56) SMN1; SMN2LMNAMAPK1TDP1ALDH1A1
SCHEMBL3835927 0.80 ALDH1A1 (0.57) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3821830 0.79 ALDH1A1 (0.56) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27601707 0.76 MEN1 (0.47) SMN1; SMN2LMNAMAPK1TDP1ALDH1A1

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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