SCHEMBL9260959

SCHEMBL9260959

CC(C)(C(=O)N1CCSCC1)S(=O)(=O)CC(CC(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.41
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
DPP4 P27487 3/20 0.38
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL9260421 0.87 CHRM1 (0.43) KMT2AMEN1MAPTGABBR2GABBR1
SCHEMBL7163453 0.86 KMT2A (0.59) KMT2AMEN1MAPTGABBR2GABBR1
SCHEMBL9256844 0.84 HTT (0.46) KMT2AMEN1MAPTGABBR2GABBR1
SCHEMBL9260958 0.77 CYP1A2 (0.42) DPP4
SCHEMBL9253341 0.77 MEN1 (0.47) KMT2AMEN1DPP4KDM4EALDH1A1
SCHEMBL9261597 0.76 GABBR2 (0.51) KMT2AMEN1MAPTGABBR2GABBR1
SCHEMBL7655013 0.76 MAPT (0.55) KMT2AMEN1MAPTGABBR2GABBR1
SCHEMBL9261579 0.75 MEN1 (0.45) KMT2AMEN1KDM4EALDH1A1RAB9A
SCHEMBL9258866 0.72 HTT (0.39) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9257535 0.72 MAPT (0.46) KMT2AMAPTGABBR2GABBR1KDM4E

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
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed