SCHEMBL4065867

SCHEMBL4065867

CC(C)c1ccc(S(=O)(=O)n2c(N)cc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.62
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HTR6 P50406 4/20 0.46
NOD2 Q9HC29 5/20 0.44
RECQL P46063 1/20 0.43
CXCL8 P10145 4/20 0.43
ALDH3A1 P30838 2/20 0.43
GAA P10253 1/20 0.43
CCR2 P41597 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 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
SCHEMBL4060858 0.84 NOD1 (0.59) NOD1CA12CA2CA9HTR6
SCHEMBL4562545 0.81 NOD1 (0.62) NOD1CA12CA2CA9HTR6
SCHEMBL10199579 0.78 RECQL (0.58) NOD1CA12CA2CA9HTR6
SCHEMBL28417120 0.76 NOD1 (0.55) NOD1CA12CA2CA9NOD2
SCHEMBL6924345 0.74 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL6924887 0.73 ALOX5 (0.52) NOD1HTR6NOD2GAACCR2
SCHEMBL8829927 0.71 NOD1 (0.56) NOD1CA12CA2CA9NOD2
SCHEMBL27733700 0.70 RECQL (0.56) NOD1CA12CA2CA9HTR6
SCHEMBL13542609 0.70 CNR2 (0.73) NOD1
SCHEMBL4059044 0.70 TP53 (0.53) NOD1CA2HTR6ALDH1A1

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
WO-2009034581-A1 SUBSTITUTED INDOLYL COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2009-03-19 WO claimed
WO-2009034581-A1 SUBSTITUTED INDOLYL COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2009-03-19 WO disclosed