SCHEMBL1822936

SCHEMBL1822936

O=C(O)Oc1cc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.40
KDM4E B2RXH2 1/20 0.34
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR35 Q9HC97 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
DAO P14920 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL9232297 0.87 ALDH1A1 (0.39) EIF4A3ALDH1A1TDP1EGLN1
SCHEMBL9234544 0.87 ALDH1A1 (0.39) EIF4A3KDM4EPDPK1ALDH1A1LMNA
SCHEMBL9232962 0.84 EGLN1 (0.39) EIF4A3EGLN1
SCHEMBL112135 0.80 GPR35 (0.55) GPR35DAO
SCHEMBL3414863 0.79 KDM4E (0.58) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL3414920 0.79 DAO (0.50) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL9234958 0.79 ALDH1A1 (0.40) EIF4A3KDM4EALDH1A1LMNAHPGD
SCHEMBL1833251 0.73 KDM4E (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3381701 0.72 HRH4 (0.43) KDM4EEGLN1
SCHEMBL3412727 0.72 F7 (0.58) KDM4EALDH1A1LMNADAO

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-2493844-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
WO-2011054436-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2011-05-12 WO disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP disclosed