SCHEMBL4453467

SCHEMBL4453467

CCSNC(=O)N/N=C/c1ccc(-c2ccccc2Cl)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.65
KDM4E B2RXH2 11/20 0.62
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 2/20 0.62
POLB P06746 4/20 0.55
LMNA P02545 4/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
NPSR1 Q6W5P4 3/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
RCE1 Q9Y256 1/20 0.53
PKM P14618 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
HPGD P15428 5/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL4457834 0.88 MAPT (0.69) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL4455962 0.82 MAPT (0.68) MAPTKDM4EALDH1A1MAPK1POLB
SCHEMBL4455852 0.82 HPGD (0.66) MAPTKDM4EALDH1A1MAPK1POLB
SCHEMBL13611583 0.76 ALDH1A1 (0.71) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL4453471 0.76 ALDH1A1 (0.71) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL13496999 0.75 MAPT (0.70) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL13886802 0.75 MAPT (0.67) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL4457842 0.75 MAPT (0.67) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL4343474 0.74 KDM4E (0.68) MAPTKDM4EALDH1A1POLBLMNA
SCHEMBL4324521 0.74 MAPT (0.81) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1

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