SCHEMBL1713223

SCHEMBL1713223

O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCCC1c1ccc2c(c1)OCCCO2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.63
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.49
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HCRTR1 O43613 1/20 0.46

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
SCHEMBL1713056 0.97 MAPK1 (0.67) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL1712968 0.82 MAPT (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1712641 0.80 MAPT (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1713488 0.78 ALDH1A1 (0.62) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL1712558 0.78 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL1712735 0.74 ALDH1A1 (0.57) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL1713199 0.73 MEN1 (0.57) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL1713300 0.73 ALDH1A1 (0.56) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL5244127 0.72 MEN1 (0.72) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL5282637 0.72 MEN1 (0.72) MAPK1ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252587-B1 PIPERIDINE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-20 EP claimed