SCHEMBL6826100

SCHEMBL6826100

CN1CCC(Oc2cc(NS(=O)(=O)c3cc(-c4ccccc4)c(Cl)s3)ccc2Cl)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.56
PFKFB3 Q16875 2/20 0.41
HTR6 P50406 4/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
HTR7 P34969 2/20 0.38
GHSR Q92847 1/20 0.38
USP1 O94782 1/20 0.37
USP8 P40818 1/20 0.37
OTUB1 Q96FW1 1/20 0.37
USP36 Q9P275 1/20 0.37

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
SCHEMBL6826097 1.00 UTS2R (0.56) UTS2RPFKFB3HTR6HTR2CHTR2B
SCHEMBL6828657 0.98 UTS2R (0.55) UTS2RPFKFB3HTR6HTR2CHTR2B
SCHEMBL6828655 0.98 UTS2R (0.55) UTS2RPFKFB3HTR6HTR2CHTR2B
SCHEMBL6829240 0.93 UTS2R (0.52) UTS2RPFKFB3HTR2CHTR2BGHSR
SCHEMBL6829236 0.93 UTS2R (0.52) UTS2RPFKFB3HTR2CHTR2BGHSR
SCHEMBL6828735 0.91 UTS2R (0.56) UTS2RPFKFB3HTR6HTR2CDRD2
SCHEMBL6828739 0.91 UTS2R (0.56) UTS2RPFKFB3HTR6HTR2CDRD2
SCHEMBL8339640 0.91 UTS2R (0.56) UTS2RPFKFB3HTR6HTR2CDRD2
SCHEMBL6828957 0.91 UTS2R (0.53) UTS2RPFKFB3HTR6HTR2CDRD2
SCHEMBL6828954 0.91 UTS2R (0.53) UTS2RPFKFB3HTR6HTR2CDRD2

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-2004043368-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed