SCHEMBL7016085

SCHEMBL7016085

O=C(O)C=Cc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
MDM2 Q00987 1/20 0.34
MIF P14174 1/20 0.34
DHODH Q02127 5/20 0.33
GPR139 Q6DWJ6 2/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
PLA2G1B P04054 1/20 0.33
MAPT P10636 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ATM Q13315 1/20 0.32
PLAU P00749 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL6732678 0.86 P2RX3 (0.40) PKMDHODHGPR139MAPTP2RX3
SCHEMBL6728750 0.85 TDP1 (0.35) DHODHGPR139
SCHEMBL6730676 0.81 ALDH1A1 (0.36) DHODHGPR139
SCHEMBL6724655 0.80 SLC5A2 (0.36) DHODHGPR139
SCHEMBL28752058 0.79 SLC5A2 (0.37) PKMMDM2MIFGPR139TBXA2R
SCHEMBL6727520 0.76 GPR139 (0.38) DHODHGPR139
SCHEMBL6727367 0.75 PPOX (0.43) PKMDHODHMAPTATM
SCHEMBL28749850 0.74 SLC5A1 (0.34) DHODHGPR139
SCHEMBL4163257 0.74 PPOX (0.45)
SCHEMBL6724485 0.71 GPR139 (0.34) GPR139

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
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP disclosed