SCHEMBL13658232

SCHEMBL13658232

Cc1cc(C)c(S(=O)(=O)N2CCCCC2CCC(=O)O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
POLB P06746 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL702335 0.91 HCRTR1 (0.53) MAPTTHRBHCRTR1HCRTR2PSEN1
SCHEMBL13692066 0.91 MAPT (0.42) MAPTTHRBPOLBHCRTR1HCRTR2
SCHEMBL2753547 0.79 RAB9A (0.46)
SCHEMBL4119314 0.79 HCRTR1 (0.53) MAPTTHRBPOLBHCRTR1HCRTR2
SCHEMBL2752693 0.79 HCRTR1 (0.53) MAPTTHRBPOLBHCRTR1HCRTR2
SCHEMBL13695347 0.79 MAPT (0.41) MAPTTHRBHCRTR1HCRTR2TP53
SCHEMBL2201553 0.78 HCRTR1 (0.49) MAPTTHRBHCRTR1HCRTR2PSEN1
SCHEMBL13692072 0.76 PSEN1 (0.59) MAPTTHRBHCRTR1HCRTR2PSEN1
SCHEMBL5128978 0.74 HCRTR1 (0.50) MAPTTHRBPOLBHCRTR1HCRTR2
SCHEMBL13587103 0.74 HCRTR1 (0.49) MAPTTHRBHCRTR1HCRTR2PSEN1

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
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed