SCHEMBL7669776

SCHEMBL7669776

CCN(CC)S(=O)(=O)c1ccc(C=[N+]([O-])C(C)C)o1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 4/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
VCAM1 P19320 1/20 0.35
ALDH1A1 P00352 6/20 0.34
POLB P06746 2/20 0.34
MITF O75030 1/20 0.34
KDM4E B2RXH2 1/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7668003 0.79 CA12 (0.39) KMT2AMEN1
SCHEMBL7664608 0.76 CA12 (0.35) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL2795672 0.74 LMNA (0.53) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8497324 0.74 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL13232924 0.74 LMNA (0.53) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL7667139 0.71 CA1 (0.40) KMT2AMEN1KDM4E
SCHEMBL7667556 0.69 CA12 (0.32) KMT2AMEN1KDM4E
SCHEMBL7665584 0.64 CA1 (0.43) KMT2AMEN1KDM4E
SCHEMBL7665563 0.62 CA12 (0.33) KMT2AMEN1ALDH1A1POLB
SCHEMBL7666039 0.61 CA1 (0.43) KMT2AMEN1KDM4EL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US claimed
US-6376540-B1 PREVENT NEURODEGENERATIVE DISEASE CENTAUR PHARMACEUTICALS, INC. 2002-04-23 US disclosed
US-6051571-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-6040444-A Process for preparing furan nitrone compounds CENTAUR PHARMACEUTICALS, INC. (US) 2000-03-21 US disclosed
US-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US disclosed