SCHEMBL4462859

SCHEMBL4462859

CN(N=Cc1ccc(-c2ccc(Cl)cc2)o1)C(N)=S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
MAPT P10636 8/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 3/20 0.47
PKM P14618 1/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.45
MAPK1 P28482 2/20 0.42
TNNI3 P19429 1/20 0.41
TNNT2 P45379 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
SCHEMBL4459311 0.86 MAPT (0.59) MAPTALDH1A1KDM4ENPSR1NPC1
SCHEMBL6445038 0.86 KMT2A (0.63) MAPTALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL4453437 0.86 KMT2A (0.63) MAPTALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL4450066 0.80 PRMT5 (0.50) PRMT5WDR77MAPTALDH1A1KDM4E
SCHEMBL4457837 0.80 KDM4E (0.51) MAPTALDH1A1KDM4ENPSR1NPC1
SCHEMBL4332906 0.79 PRMT5 (0.49) PRMT5WDR77MAPTALDH1A1KDM4E
SCHEMBL4326738 0.76 MAPT (0.78) PRMT5WDR77MAPTALDH1A1KDM4E
SCHEMBL4326742 0.76 MAPT (0.78) PRMT5WDR77MAPTALDH1A1KDM4E
SCHEMBL4326934 0.75 KDM4E (0.60) MAPTALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL19215161 0.74 PRMT5 (0.56) PRMT5WDR77MAPTALDH1A1KDM4E

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