SCHEMBL4459314

SCHEMBL4459314

CNC(=S)NN=Cc1ccc(-c2ccccc2)o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.75
KDM4E B2RXH2 5/20 0.75
NPC1 O15118 3/20 0.75
POLB P06746 3/20 0.75
TDP1 Q9NUW8 3/20 0.75
PKM P14618 2/20 0.75
HSP90AA1 P07900 1/20 0.75
APEX1 P27695 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
LMNA P02545 3/20 0.74
HPGD P15428 2/20 0.74
ALDH1A1 P00352 1/20 0.74
ALOX12 P18054 1/20 0.74
RAB9A P51151 2/20 0.72
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
PHGDH O43175 6/20 0.58
NPSR1 Q6W5P4 2/20 0.56
MAPK1 P28482 1/20 0.56
GFER P55789 1/20 0.55

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
SCHEMBL13611637 1.00 MAPT (0.75) MAPTKDM4ENPC1POLBTDP1
SCHEMBL13611615 0.86 MAPT (0.72) MAPTKDM4ENPC1POLBTDP1
SCHEMBL4462860 0.86 MAPT (0.72) MAPTKDM4ENPC1POLBTDP1
SCHEMBL21292824 0.86 KDM4E (1.00) MAPTKDM4ENPC1POLBTDP1
SCHEMBL21292826 0.86 KDM4E (1.00) MAPTKDM4ENPC1POLBTDP1
SCHEMBL21292759 0.85 ALDH1A1 (1.00) MAPTKDM4ENPC1POLBTDP1
SCHEMBL13611475 0.85 MAPT (0.71) MAPTKDM4ENPC1POLBTDP1
SCHEMBL4327103 0.83 MAPT (1.00) MAPTKDM4ENPC1TDP1PKM
SCHEMBL4327099 0.83 MAPT (1.00) MAPTKDM4ENPC1TDP1PKM
SCHEMBL4331131 0.82 KDM4E (0.69) MAPTKDM4ENPC1POLBTDP1

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