SCHEMBL11834752

SCHEMBL11834752

FC(F)(F)c1ccc2nc(=S)cnc(C3CCCCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
MCHR1 Q99705 3/20 0.38
CSNK1D P48730 1/20 0.35
CCNE2 O96020 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CETP P11597 1/20 0.34
CCRL2 O00421 1/20 0.34
RORC P51449 1/20 0.33
CYP11B2 P19099 1/20 0.33
DGAT1 O75907 1/20 0.33
MAPK7 Q13164 1/20 0.33

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
SCHEMBL28707993 0.70 GAK (0.44) PTGDR2MCHR1CSNK1DCCNE2CCNA2
SCHEMBL14916129 0.68 KHK (0.39) PTGDR2MCHR1CSNK1DCCNE2CCNA2
SCHEMBL14916134 0.68 KHK (0.37) PTGDR2MCHR1CCNE2CCNA2CCNE1
SCHEMBL14916710 0.68 FABP4 (0.43) TDP1L3MBTL1IDO1DGAT1
SCHEMBL14916476 0.66 ESR1 (0.41) TDP1L3MBTL1IDO1DGAT1
SCHEMBL16529006 0.65 GABRA2 (0.36) PTGDR2
SCHEMBL28112248 0.65 EGFR (0.40) IRAK4CCRL2DGAT1
SCHEMBL23066230 0.63 PTGDR2 (0.41) PTGDR2CSNK1D
SCHEMBL25647216 0.63 PPARD (0.42) PTGDR2L3MBTL1
SCHEMBL11866171 0.63 ACHE (0.37) PTGDR2TDP1L3MBTL1PDE10ARORC

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-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed