SCHEMBL6821370

SCHEMBL6821370

CN1CCC(Oc2cc(NS(=O)(=O)c3ccc(Sc4ccc(F)cc4)cc3Cl)ccc2Cl)C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.63
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.41
BRD4 O60885 1/20 0.41
SCD O00767 1/20 0.37
USP1 O94782 1/20 0.37
USP8 P40818 1/20 0.37
OTUB1 Q96FW1 1/20 0.37
USP36 Q9P275 1/20 0.37
SGK1 O00141 2/20 0.36
SCN1A P35498 1/20 0.36
SCN8A Q9UQD0 1/20 0.36

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
SCHEMBL6821363 1.00 UTS2R (0.63) UTS2RHTR2CHTR2BHTR6BRD4
SCHEMBL6823477 0.93 UTS2R (0.63) UTS2RHTR2CHTR2BHTR6SGK1
SCHEMBL6823471 0.93 UTS2R (0.63) UTS2RHTR2CHTR2BHTR6SGK1
SCHEMBL6821135 0.91 UTS2R (0.63) UTS2RHTR2CHTR2BHTR6
SCHEMBL6821143 0.91 UTS2R (0.63) UTS2RHTR2CHTR2BHTR6
SCHEMBL6821086 0.90 UTS2R (0.64) UTS2RHTR6SGK1
SCHEMBL8338821 0.90 UTS2R (0.67) UTS2RHTR2CHTR2BHTR6BRD4
SCHEMBL6823990 0.87 UTS2R (0.57) UTS2RSCD
SCHEMBL6823982 0.87 UTS2R (0.57) UTS2RSCD
SCHEMBL6823993 0.86 UTS2R (0.64) UTS2RSGK1SCN1ASCN8A

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-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed