SCHEMBL8711645

SCHEMBL8711645

CC(Cc1cc(Cl)cc(Cl)c1)N=C=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
PNMT P11086 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
IDO1 P14902 2/20 0.32
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
RECQL P46063 1/20 0.30
PYCR1 P32322 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL21753640 0.79 TSHR (0.35) TSHRSLC6A2SLC6A3
SCHEMBL5710769 0.79 TSHR (0.35) TSHRSLC6A2SLC6A3
SCHEMBL23121590 0.77 PNMT (0.43) PNMTTSHRSLC6A2SLC6A3
SCHEMBL635206 0.77 PNMT (0.43) PNMTTSHRSLC6A2SLC6A3
SCHEMBL2729032 0.74 SLC6A2 (0.48) TSHRSLC6A2SLC6A3
SCHEMBL21056125 0.74 SLC6A2 (0.48) TSHRSLC6A2SLC6A3
SCHEMBL27515553 0.74 SLC6A2 (0.48) TSHRSLC6A2SLC6A3
SCHEMBL8993572 0.74 PNMT (0.38) PNMTNR3C1PGRNR3C2IDO1
SCHEMBL5018736 0.72 PNMT (0.43) PNMTNR3C1PGRNR3C2IDO1
SCHEMBL27464880 0.72 NR3C1 (0.36) TACR1PNMTNR3C1PGRNR3C2

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-1998006709-A1 CYCLIC UREA COMPOUNDS, THEIR PRODUCTION AND USE AS HERBICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-19 WO disclosed