SCHEMBL6821285

SCHEMBL6821285

CN1CCC(Oc2cc(NS(=O)(=O)c3ccc(Sc4cccc(C(F)(F)F)c4)cc3Cl)ccc2C(F)(F)F)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.61
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK6 Q00534 1/20 0.41
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 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
SCHEMBL6821277 1.00 UTS2R (0.61) UTS2RCDK1CCNB1CCNA2CCND1
SCHEMBL6823982 0.94 UTS2R (0.57) UTS2RCDK1CCNB1CCNA2CCND1
SCHEMBL6823990 0.94 UTS2R (0.57) UTS2RCDK1CCNB1CCNA2CCND1
SCHEMBL6817631 0.93 UTS2R (0.63) UTS2RPPARG
SCHEMBL6817637 0.93 UTS2R (0.63) UTS2RPPARG
SCHEMBL6822447 0.91 UTS2R (0.65) UTS2R
SCHEMBL6822449 0.91 UTS2R (0.65) UTS2R
SCHEMBL6824460 0.91 UTS2R (0.64) UTS2R
SCHEMBL6824468 0.91 UTS2R (0.64) UTS2R
SCHEMBL6820379 0.91 UTS2R (0.62) UTS2RPPARG

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