SCHEMBL4450066

SCHEMBL4450066

NC(=S)N(N=Cc1ccc(-c2ccc(Cl)cc2)o1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 8/20 0.45
KDM4E B2RXH2 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 4/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL4461761 0.86 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4462859 0.80 PRMT5 (0.54) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL4324300 0.78 KDM4E (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4332806 0.76 POLB (0.44) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL4332906 0.75 PRMT5 (0.49) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL4454123 0.73 KDM4E (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4326742 0.72 MAPT (0.78) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL4326738 0.72 MAPT (0.78) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL7318722 0.70 HPGD (0.69) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL7318717 0.70 HPGD (0.69) PRMT5WDR77ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed