SCHEMBL6820301

SCHEMBL6820301

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3ccc(Sc4ccccc4Cl)cc3)ccc2C(F)(F)F)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.59
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38

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
SCHEMBL6820307 1.00 UTS2R (0.59) UTS2RKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6820792 0.94 UTS2R (0.57) UTS2RKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6820790 0.94 UTS2R (0.57) UTS2RKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6820332 0.91 UTS2R (0.62) UTS2RKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6820324 0.91 UTS2R (0.62) UTS2RKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6820351 0.89 UTS2R (0.57) UTS2RKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6820339 0.89 UTS2R (0.57) UTS2RKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6821116 0.89 UTS2R (0.61) UTS2RMAPT
SCHEMBL6821111 0.89 UTS2R (0.61) UTS2RMAPT
SCHEMBL6821133 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 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