SCHEMBL6820384

SCHEMBL6820384

CN1CCC(Oc2cc(NS(=O)(=O)c3ccc(Sc4ccc(F)c(Cl)c4)cc3)ccc2C(F)(F)F)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.59
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6820375 1.00 UTS2R (0.59) UTS2RDRD2HTR2AHTR2CDRD3
SCHEMBL6821116 0.94 UTS2R (0.61) UTS2RTP53
SCHEMBL6821111 0.94 UTS2R (0.61) UTS2RTP53
SCHEMBL6820953 0.92 UTS2R (0.63) UTS2R
SCHEMBL6820947 0.92 UTS2R (0.63) UTS2R
SCHEMBL6821133 0.91 UTS2R (0.61) UTS2RHTR6TP53
SCHEMBL6821124 0.91 UTS2R (0.61) UTS2RHTR6TP53
SCHEMBL6824508 0.90 UTS2R (0.64) UTS2RTP53ALDH1A1
SCHEMBL6824514 0.90 UTS2R (0.64) UTS2RTP53ALDH1A1
SCHEMBL6821079 0.88 UTS2R (0.64) UTS2RHTR6MEN1ALDH1A1KMT2A

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