SCHEMBL8708802

SCHEMBL8708802

CC(=NNC(O)=S)c1cccc(C)c1.NNC(O)=S

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX12 P18054 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CTSL P07711 3/20 0.50
ATM Q13315 1/20 0.50
METTL3 Q86U44 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL940737 0.83 CTSL (0.70) MAPTGAASMN1; SMN2CTSLATM
SCHEMBL13954747 0.83 CTSL (0.70) MAPTGAASMN1; SMN2CTSLATM
SCHEMBL8708801 0.80 MAPT (0.56) MAPTMEN1KMT2ANPC1CYP1A2
SCHEMBL8708797 0.80 MAPT (0.56) MAPTMEN1KMT2ANPC1CYP1A2
SCHEMBL14436803 0.78 MEN1 (0.69) MAPTMEN1KMT2ANPC1CYP1A2
SCHEMBL17044497 0.77 PLK4 (0.58) MAPTMEN1KMT2ANPC1CYP1A2
SCHEMBL17044499 0.77 PLK4 (0.58) MAPTMEN1KMT2ANPC1CYP1A2
Hydrochloric Acid SCHEMBL6514858 0.76 PLK4 (0.57) MAPTMEN1KMT2ANPC1CYP1A2
Hydrochloric Acid SCHEMBL6514864 0.76 PLK4 (0.57) MAPTMEN1KMT2ANPC1CYP1A2
SCHEMBL14523574 0.74 MAPT (0.48) MAPTMEN1KMT2ANPC1CYP1A2

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
WO-1998050352-A1 DITHIOCARBAZONIC ACID DERIVATIVES AS PESTICIDES AGREVO UK LIMITED (GB) 1998-11-12 WO disclosed