SCHEMBL3670962

SCHEMBL3670962

CC(C)(C)CC(C)(C)N.O=S(=O)(Cl)c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 8/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 2/20 0.39
CYP2C19 P33261 1/20 0.37
NFE2L2 Q16236 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL29483829 0.80 SMN1; SMN2 (0.56) MAPTSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL17509 0.80 SMN1; SMN2 (0.56) MAPTSMN1; SMN2ALDH1A1PKMMEN1
Hydrochloric Acid SCHEMBL4803286 0.79 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL1207399 0.73 MEN1 (0.50) MAPTSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL14744375 0.69 MAPT (0.64) MAPTSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL6701189 0.68 MEN1 (0.62) MAPTSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL29977958 0.68 SMN1; SMN2 (0.59) MAPTSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL1256644 0.68 SMN1; SMN2 (0.59) MAPTSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL188710 0.68 ALDH1A1 (0.63) MAPTSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL31190599 0.67 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148861-A1 ARYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2008138594-A1 ARYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed