SCHEMBL1712968

SCHEMBL1712968

O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1c1ccc2c(c1)OCCCO2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.49
PKM P14618 2/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 3/20 0.49
PKLR P30613 1/20 0.47
MEN1 O00255 3/20 0.46
GAA P10253 3/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.44
TERT O14746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HCRTR1 O43613 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1712641 0.97 MAPT (0.54) MAPTLMNAPKMKMT2AALDH1A1
SCHEMBL1712558 0.86 ALDH1A1 (0.67) LMNAPKMALDH1A1PKLRGAA
SCHEMBL1713223 0.82 MAPK1 (0.63) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL1713470 0.82 MAPT (0.66) MAPTLMNAKMT2AMEN1GAA
SCHEMBL1713497 0.80 MAPT (0.64) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL1713056 0.80 MAPK1 (0.67) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL4094978 0.74 LMNA (0.67) MAPTLMNAALDH1A1GAAHTT
SCHEMBL1712628 0.74 FAAH (0.51) MAPTLMNAPKMKMT2AALDH1A1
SCHEMBL1712636 0.72 LMNA (0.67) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5245498 0.71 MAPT (1.00) MAPTLMNAKMT2AMEN1GAA

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