SCHEMBL17422147

SCHEMBL17422147

Cc1ccc(S(=O)(=O)n2c(N3CCNCC3)cc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
HTR6 P50406 10/20 0.50
NOD2 Q9HC29 3/20 0.49
NOD1 Q9Y239 3/20 0.49
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALDH3A1 P30838 1/20 0.46
CXCL8 P10145 1/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
HSD11B1 P28845 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4304442 0.90 HTR6 (0.54) HTR6PKM
Hydrochloric Acid SCHEMBL4316251 0.89 HTR6 (0.53) HTR6PKM
Hydrochloric Acid SCHEMBL6521806 0.89 HTR6 (0.53) HTR6PKM
SCHEMBL4309788 0.88 PKM (0.45) ALOX5HTR6PKMHTTLMNA
SCHEMBL4316005 0.88 MAPT (0.51) HTR6NOD2NOD1ALDH1A1ALDH3A1
Hydrochloric Acid SCHEMBL6518351 0.87 HTR6 (0.50) HTR6NOD2NOD1ALDH1A1ALDH3A1
Hydrochloric Acid SCHEMBL6518308 0.87 HTR6 (0.44) ALOX5HTR6PKMHTTLMNA
SCHEMBL4317729 0.86 HTR6 (0.45) HTR6GAAPKM
SCHEMBL4315943 0.85 LTA4H (0.48) HTR6SMN1; SMN2ALDH1A1PKMLMNA
Hydrochloric Acid SCHEMBL6519613 0.85 HTR6 (0.44) HTR6GAAPKM

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-3166924-A1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-05-17 EP disclosed
WO-2016004882-A1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-14 WO disclosed