SCHEMBL8993529

SCHEMBL8993529

Cn1c(C(F)(F)F)cc(=S)n(-c2ccc(Cl)c(C(=O)O)c2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
CTSB P07858 2/20 0.50
NOTUM Q6P988 5/20 0.45
L3MBTL1 Q9Y468 5/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 4/20 0.43
CTDSP1 Q9GZU7 3/20 0.43
CASP6 P55212 2/20 0.43
NSD2 O96028 2/20 0.43
RECQL P46063 2/20 0.43
PKM P14618 2/20 0.43
APEX1 P27695 1/20 0.43
CASP3 P42574 1/20 0.43
KDM4E B2RXH2 2/20 0.40
MYC P01106 1/20 0.39
NR4A1 P22736 1/20 0.39
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL1807362 0.88 TDP1 (0.52) TDP1CTSBNOTUML3MBTL1ALDH1A1
SCHEMBL8993507 0.82 GABRA1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL24152419 0.80 TDP1 (0.60) TDP1CTSBNOTUML3MBTL1ALDH1A1
SCHEMBL29938053 0.80 TDP1 (0.60) TDP1CTSBNOTUML3MBTL1ALDH1A1
SCHEMBL9423041 0.79 TDP1 (0.40) TDP1CTSBNOTUML3MBTL1ALDH1A1
SCHEMBL9168174 0.79 TDP1 (0.40) TDP1CTSBNOTUML3MBTL1ALDH1A1
SCHEMBL29576263 0.79 TDP1 (0.40) TDP1CTSBNOTUML3MBTL1ALDH1A1
SCHEMBL9262971 0.78 TDP1 (0.55) TDP1CTSBNOTUML3MBTL1ALDH1A1
SCHEMBL6465173 0.78 LMNA (0.47) TDP1CTSBNOTUML3MBTL1ALDH1A1
Ethylene SCHEMBL9423310 0.77 TDP1 (0.39) TDP1CTSBNOTUML3MBTL1ALDH1A1

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-5527764-A 3-arylthionouracils useful as herbicides, defoliants, and desiccants UNIROYAL CHEMICAL COMPANY, INC. (US) 1996-06-18 US disclosed