SCHEMBL8419601

SCHEMBL8419601

COC(=O)CCCc1ccc(C(CCCCCF)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.44
MMP2 P08253 2/20 0.41
MMP13 P45452 2/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
TBXAS1 P24557 5/20 0.40
TBXA2R P21731 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL8421427 0.91 MMP2 (0.41) MMP2MMP13MMP9MMP8ALDH1A1
SCHEMBL8897125 0.91 UTS2R (0.45) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8896086 0.91 UTS2R (0.45) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8895738 0.91 UTS2R (0.45) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8895286 0.91 UTS2R (0.45) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8897709 0.90 ALDH1A1 (0.45) UTS2RMMP2MMP9TBXAS1TBXA2R
SCHEMBL8894880 0.90 ALDH1A1 (0.45) UTS2RMMP2MMP9TBXAS1TBXA2R
SCHEMBL8895365 0.90 UTS2R (0.46) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8897166 0.90 UTS2R (0.46) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8897066 0.90 UTS2R (0.49) UTS2RTBXAS1TBXA2RMEN1KMT2A

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-0943606-A1 BENZENESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 1999-09-22 EP disclosed