SCHEMBL8301094

SCHEMBL8301094

CCCS(=O)(=O)Nc1cccc(Oc2cccc3ccccc23)c1NS(=O)(=O)CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.46
PTGS1 P23219 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KEAP1 Q14145 1/20 0.41
RAD52 P43351 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
BRAF P15056 4/20 0.40
BRD4 O60885 1/20 0.40
HTR1B P28222 1/20 0.39
KDR P35968 1/20 0.37
KCNA5 P22460 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
SCHEMBL8301095 0.82 RAD52 (0.53) PARP14PTGS1MRGPRX1RAD52NCOA3
SCHEMBL8307237 0.72 AR (0.56) LMNAMRGPRX1MEN1MAPTHPGD
SCHEMBL7222716 0.71 MRGPRX1 (0.54) PARP14PTGS1LMNAMRGPRX1MEN1
SCHEMBL10078555 0.70 KEAP1 (0.55) PARP14KDM4EKMT2AKEAP1BRD4
SCHEMBL29901800 0.70 KEAP1 (0.55) PARP14KDM4EKMT2AKEAP1BRD4
SCHEMBL2128507 0.70 KEAP1 (0.68) PARP14ALDH1A1LMNAKDM4EMEN1
SCHEMBL7219476 0.69 MRGPRX1 (0.52) MRGPRX1
SCHEMBL3726856 0.69 HTR1B (0.47) PTGS1ALDH1A1KDM4EGAAHPGD
SCHEMBL7222256 0.69 BRD4 (0.47) ALDH1A1LMNAMRGPRX1KDM4EHPGD
SCHEMBL30673310 0.69 PTGS1 (0.47) PARP14PTGS1ALDH1A1LMNAHPGD

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-0966436-A1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Bayer Aktiengesellschaft (DE) 1999-12-29 EP disclosed
WO-1998037061-A1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-08-27 WO disclosed