SCHEMBL4457842

SCHEMBL4457842

CNC(=S)NN=Cc1ccc(-c2ccccc2Cl)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
KDM4E B2RXH2 9/20 0.63
ALDH1A1 P00352 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPK1 P28482 1/20 0.63
LMNA P02545 8/20 0.60
HPGD P15428 5/20 0.60
NPSR1 Q6W5P4 4/20 0.60
ALOX12 P18054 2/20 0.60
POLB P06746 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
NPC1 O15118 3/20 0.56
PKM P14618 2/20 0.56
HSP90AA1 P07900 1/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
CTDSP1 Q9GZU7 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
SCHEMBL13886802 1.00 MAPT (0.67) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL13611583 0.87 ALDH1A1 (0.71) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4453471 0.87 ALDH1A1 (0.71) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4324521 0.85 MAPT (0.81) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4324519 0.85 MAPT (0.81) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13886804 0.83 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL13611637 0.82 MAPT (0.75) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4459314 0.82 MAPT (0.75) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL13611615 0.80 MAPT (0.72) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4462860 0.80 MAPT (0.72) MAPTMEN1KMT2AL3MBTL1KDM4E

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