SCHEMBL7659746

SCHEMBL7659746

NC(=S)Oc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
OGG1 O15527 1/20 0.42
PARP1 P09874 1/20 0.42
BCHE P06276 1/20 0.42
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
HTR3B O95264 1/20 0.41
PLAU P00749 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL7162074 0.82 WDR5 (0.44) WDR5KMT2AGAAOGG1BCHE
SCHEMBL4344418 0.80 MEN1 (0.73) WDR5MEN1KMT2AALDH1A1OGG1
SCHEMBL2860052 0.76 LMNA (0.58) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL7842545 0.76 WDR5 (0.70) WDR5KMT2AALDH1A1GAAMAOB
SCHEMBL7165836 0.76 WDR5 (0.40) WDR5KMT2AALDH1A1GAAMAPT
SCHEMBL217700 0.75 WDR5 (0.46) WDR5KMT2AOGG1BCHEMAOB
SCHEMBL5916715 0.75 BCHE (0.51) WDR5MEN1KMT2AALDH1A1GAA
SCHEMBL7932475 0.75 BCHE (0.51) WDR5MEN1KMT2AALDH1A1GAA
SCHEMBL27617217 0.74 MAOA (0.43) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL7308175 0.73 HSP90AA1 (0.46) MEN1KMT2AALDH1A1GAAMAPT

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
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed