SCHEMBL8306978

SCHEMBL8306978

CCCCS(=O)(=O)Nc1ccnc(Oc2cccc3ccccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
KDR P35968 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
HTR1B P28222 3/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
AR P10275 1/20 0.38
MAPK8 P45983 2/20 0.38
PARP14 Q460N5 1/20 0.38
HTR1D P28221 1/20 0.37
BRD4 O60885 1/20 0.37
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 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
SCHEMBL7228467 0.81 KDM4E (0.54) CREBBPKDM4EHPGDKDRALDH1A1
SCHEMBL7467297 0.77 HPGD (0.43) KDM4EHPGDKDRALDH1A1MRGPRX1
SCHEMBL8307237 0.76 AR (0.56) HPGDKDRMAPTMRGPRX1AR
SCHEMBL7222716 0.71 MRGPRX1 (0.54) HPGDKDRMAPTMRGPRX1AR
SCHEMBL7222256 0.71 BRD4 (0.47) KDM4EHPGDKDRALDH1A1MRGPRX1
SCHEMBL7220116 0.70 BCL2L1 (0.48) KDRALDH1A1ARBRD4
SCHEMBL7226423 0.69 MRGPRX1 (0.45) KDRMRGPRX1ARBRD4
SCHEMBL7221513 0.69 BRD4 (0.45) KDM4EHPGDKDRALDH1A1MRGPRX1
SCHEMBL9447062 0.69 GLO1 (0.57) KDM4EALDH1A1GAAMRGPRX1
SCHEMBL20372839 0.69 KDM4E (0.61) KDM4EHPGDALDH1A1GAAMAPT

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