SCHEMBL6824007

SCHEMBL6824007

CN1CCC(Oc2cc(NS(=O)(=O)c3ccc(Sc4cccc(C(F)(F)F)c4)cc3)ccc2C(F)(F)F)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 16/20 0.60
FFAR1 O14842 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
CCNA1 P78396 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTR6 P50406 1/20 0.39

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
SCHEMBL6824000 1.00 UTS2R (0.60) UTS2RFFAR1CDK1CCNB1CCNA2
SCHEMBL6821074 0.92 UTS2R (0.64) UTS2RKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6821079 0.92 UTS2R (0.64) UTS2RKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6820293 0.90 UTS2R (0.62) UTS2RFFAR4
SCHEMBL6820300 0.90 UTS2R (0.62) UTS2RFFAR4
SCHEMBL6824514 0.89 UTS2R (0.64) UTS2RFFAR4ALDH1A1
SCHEMBL6824508 0.89 UTS2R (0.64) UTS2RFFAR4ALDH1A1
SCHEMBL6821285 0.89 UTS2R (0.61) UTS2RCDK1CCNB1CCNA2CDK2
SCHEMBL6821277 0.89 UTS2R (0.61) UTS2RCDK1CCNB1CCNA2CDK2
SCHEMBL8339703 0.88 UTS2R (0.61) 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
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed