SCHEMBL7092690

SCHEMBL7092690

CCCS(=O)(=O)NCCOc1ccc(C2(F)CCCCC2NS(=O)(=O)CCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6347185 0.97 SLC6A9 (0.45) SLC6A9CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6344448 0.94 ALDH1A1 (0.42) SLC6A9CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6354375 0.91 ALDH1A1 (0.43) SLC6A9CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6357878 0.88 ALDH1A1 (0.44) SLC6A9CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6349725 0.87 SLC6A9 (0.44) SLC6A9CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6346463 0.85 ALDH1A1 (0.45) SLC6A9CYP3A4MEN1KMT2ATSHR
SCHEMBL6347843 0.85 SLC6A4 (0.43) ALDH1A1
SCHEMBL6348954 0.84 SLC6A9 (0.45) SLC6A9CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6345812 0.83 RORC (0.46) KMT2AHPGDKDM4E
SCHEMBL6351604 0.82 PSEN1 (0.39) LMNAHTTMEN1KMT2AALDH1A1

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
EP-1334087-A1 CYCLOALKYLFLUOROSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-08-13 EP claimed
WO-2002032858-A1 CYCLOALKYLFLUOROSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-04-25 WO claimed