SCHEMBL4457834

SCHEMBL4457834

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.69
KDM4E B2RXH2 9/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPK1 P28482 2/20 0.66
ALDH1A1 P00352 2/20 0.66
POLB P06746 5/20 0.58
LMNA P02545 3/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
RCE1 Q9Y256 1/20 0.56
HPGD P15428 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 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
SCHEMBL4453467 0.88 MAPT (0.65) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL4459309 0.83 KEAP1 (0.61) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL4462856 0.81 PRMT5 (0.67) MAPTKDM4EMAPK1ALDH1A1POLB
SCHEMBL4453436 0.81 HPGD (0.70) MAPTKDM4EMAPK1ALDH1A1POLB
SCHEMBL4457842 0.77 MAPT (0.67) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL13886802 0.77 MAPT (0.67) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL4324521 0.77 MAPT (0.81) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL4324519 0.77 MAPT (0.81) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL13496999 0.75 MAPT (0.70) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL4453471 0.74 ALDH1A1 (0.71) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1

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