SCHEMBL4615110

SCHEMBL4615110

NC(=O)c1cc(F)ccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 8/20 0.47
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
APP P05067 2/20 0.46
CASP1 P29466 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AHR P35869 2/20 0.43
PDK2 Q15119 1/20 0.43
GRM2 Q14416 1/20 0.42
SCN9A Q15858 1/20 0.42
PTGER1 P34995 1/20 0.41
PTGER3 P43115 1/20 0.41

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
SCHEMBL5616503 0.89 CASP1 (0.58) EIF4ECASP1PDK2GRM2
SCHEMBL2934440 0.88 EIF4E (0.44) EIF4EPSEN1PSEN2APH1BNCSTN
SCHEMBL23366935 0.87 PTGS2 (0.46) CASP1AKR1C3AKR1C2PDK2GRM2
SCHEMBL23354330 0.86 EIF4E (0.60) EIF4EPSEN1PSEN2APH1BNCSTN
SCHEMBL5616629 0.83 IKBKB (0.51) CYP3A4CYP2C9CYP2C19GRM2SCN9A
SCHEMBL1785686 0.83 ALDH1A1 (0.50) CASP1GRM2
SCHEMBL4027307 0.79 HPGDS (0.51) SCN9A
SCHEMBL3234101 0.79 BCAT2 (0.59) EIF4ECASP1AHRPDK2PTGER1
SCHEMBL24820593 0.78 GRM2 (0.45) CASP1GRM2SCN9A
SCHEMBL5616409 0.77 CASP1 (0.55) CASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819223-B1 USE OF MENADIONE FOR BOOSTING THE EFFECTIVENESS OF AGROCHEMICALS BASF SE (DE) 2008-03-12 EP claimed
EP-1976376-A1 AGROCHEMICAL FORMULATIONS BASED ON MOLECULARLY IMPRINTED ACRYLATES BASF SE (DE) 2008-10-08 EP disclosed
WO-2007082802-A1 AGROCHEMICAL FORMULATIONS BASED ON MOLECULARLY IMPRINTED ACRYLATES BASF SE (DE) 2007-07-26 WO disclosed