SCHEMBL5744542

SCHEMBL5744542

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3cc(Cl)sc3Cl)ccc2C(F)(F)F)C1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.68
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
CCNA1 P78396 1/20 0.45
CDK6 Q00534 1/20 0.45
APP P05067 1/20 0.45
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5835533 0.86 UTS2R (0.71) UTS2RCDK1CCNB1CCNA2CCND1
SCHEMBL5835543 0.86 UTS2R (0.71) UTS2RCDK1CCNB1CCNA2CCND1
SCHEMBL6828353 0.85 UTS2R (0.63) UTS2R
SCHEMBL6828351 0.85 UTS2R (0.63) UTS2R
SCHEMBL5744076 0.85 UTS2R (0.63) UTS2R
SCHEMBL5743566 0.85 UTS2R (0.65) UTS2R
SCHEMBL6819512 0.85 UTS2R (0.67) UTS2R
SCHEMBL8343459 0.85 UTS2R (0.62) UTS2R
SCHEMBL5743168 0.85 UTS2R (0.67) UTS2R
SCHEMBL5835628 0.84 UTS2R (0.69) UTS2R

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
EP-1385840-B1 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2006-10-04 EP claimed