SCHEMBL1712641

SCHEMBL1712641

O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1c1ccc2c(c1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.51
PKM P14618 3/20 0.51
PKLR P30613 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.47
LMNA P02545 4/20 0.47
GAA P10253 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1712968 0.97 MAPT (0.53) MAPTALDH1A1PKMPKLRKMT2A
SCHEMBL1712558 0.89 ALDH1A1 (0.67) ALDH1A1PKMPKLRLMNAGAA
SCHEMBL1713470 0.83 MAPT (0.66) MAPTKMT2AMEN1LMNAGAA
SCHEMBL1713056 0.82 MAPK1 (0.67) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL1713497 0.81 MAPT (0.64) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1713223 0.80 MAPK1 (0.63) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL4094978 0.75 LMNA (0.67) MAPTALDH1A1LMNAGAAHTT
SCHEMBL1712628 0.74 FAAH (0.51) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL1712636 0.73 LMNA (0.67) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5245498 0.72 MAPT (1.00) MAPTKMT2AMEN1LMNAGAA

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