SCHEMBL21753445

SCHEMBL21753445

NC(=O)c1ccccc1S(=O)(=O)c1cc[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA5A P35218 1/20 0.36
AKR1B1 P15121 5/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36

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
SCHEMBL25294545 0.75 C1S (0.46) HTR2AHTR2CCSNK1A1TYRO3DYRK1B
SCHEMBL29786083 0.75 CSNK1A1 (0.52) HTR2AHTR2CCSNK1A1TYRO3DYRK1B
SCHEMBL6582497 0.74 MAPT (0.43) KDM4EALDH1A1MAPTHPGDAKR1B1
SCHEMBL22494209 0.72 AKR1B1 (0.35) AKR1B1
SCHEMBL364480 0.72 HTR6 (0.55) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL27390402 0.71 MEN1 (0.44) AKR1B1
SCHEMBL25302092 0.70 HTR2A (0.48) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL4540142 0.70 AKR1B1 (0.58) ALDH1A1TSHRHSD17B10AKR1B1
SCHEMBL3641319 0.69 ALDH1A1 (0.45) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL1498169 0.69 KDM4E (0.50) HTR2AHTR2CKDM4EALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3841197-A1 METHODS FOR ASSESSING TRANSENDOTHELIAL BARRIER INTEGRITY F. Hoffmann-La Roche AG (CH) 2021-06-30 EP disclosed
WO-2020079107-A1 SYNERGISTIC TRANSCRIPTION FACTORS TO INDUCE HIGH RESISTANCE TRANSENDOTHELIAL BARRIER F. HOFFMANN-LA ROCHE AG (CH) 2020-04-23 WO disclosed
WO-2020038851-A1 METHODS FOR ASSESSING TRANSENDOTHELIAL BARRIER INTEGRITY F. HOFFMANN-LA ROCHE AG (CH) 2020-02-27 WO disclosed