SCHEMBL4730163

SCHEMBL4730163

CC(C)c1cc2c(cc1S(=O)(=O)NCCc1cccnc1)Sc1cc(F)ccc1C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.42
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
TBXA2R P21731 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
TSHR P16473 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL4730979 0.84 TBXAS1 (0.42) TBXAS1ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL4734133 0.80 TBXAS1 (0.40) TBXAS1ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL4617716 0.77 TBXAS1 (0.51) TBXAS1ALDH1A1HTTSMN1; SMN2TBXA2R
SCHEMBL4619248 0.75 TBXAS1 (0.53) TBXAS1ALDH1A1HTTSMN1; SMN2TBXA2R
SCHEMBL4734005 0.75 TBXAS1 (0.39) TBXAS1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL4617522 0.72 TBXAS1 (0.49) TBXAS1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL4732031 0.71 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL4737048 0.71 TBXAS1 (0.39) TBXAS1ALDH1A1HTTSMN1; SMN2PRMT5
SCHEMBL4617818 0.69 SFRP1 (0.58) TBXAS1
SCHEMBL4732619 0.69 TAAR1 (0.43) ALDH1A1HTTSMN1; SMN2POLB

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-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed