SCHEMBL11114290

SCHEMBL11114290

CC1(Cl)C(C(=O)OCc2cccc(Oc3ccc(Cl)cc3)c2C#N)C1(Cl)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
HTR2A P28223 3/20 0.35
SLC6A4 P31645 3/20 0.35
PPARA Q07869 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SLC1A5 Q15758 1/20 0.32
TBXA2R P21731 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
EZH2 Q15910 2/20 0.32
MCL1 Q07820 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
BCL2L1 Q07817 1/20 0.31
VEGFA P15692 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL7979384 0.77 MEN1 (0.41) MAPTSLC6A4MRGPRX4HSD11B1EZH2
SCHEMBL6664928 0.71 PPARA (0.42) MAPTHTR2ASLC6A4PPARAMRGPRX4
SCHEMBL9099955 0.71 PPARA (0.42) MAPTHTR2ASLC6A4PPARAMRGPRX4
SCHEMBL11112179 0.70 TDP1 (0.54) MAPTPPARAFNTAFNTB
SCHEMBL6062731 0.69 TDP1 (0.62) MAPTSLC6A4HSD11B1RAB9A
SCHEMBL10769994 0.68 MEN1 (0.45) MAPTSLC6A4MRGPRX4HSD11B1SLC6A2
SCHEMBL9246156 0.67 TDP1 (0.62) SLC6A4HSD11B1
SCHEMBL11399618 0.67 PPARA (0.40) MAPTHTR2ASLC6A4PPARAMRGPRX4
SCHEMBL8680245 0.67 TDP1 (0.51) MAPTSLC6A4HSD11B1SLC6A2EZH2
SCHEMBL11556883 0.66 TDP1 (0.42) VEGFA

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-4459305-A INSECTICIDE, MITICIDE DAINIPPON SOCHUGIKU KABUSHIKI KAISHA (JP) 1984-07-10 US disclosed