SCHEMBL5762848

SCHEMBL5762848

C=CCOc1ccc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
GCGR P47871 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA2A P08913 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
SCHEMBL3824432 0.78 CA12 (0.44) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL10576854 0.78 RXRA (0.35) TSHRRXRAGRIN1GRIN2BMAPT
SCHEMBL6213208 0.77 KDM4E (0.43) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL12380456 0.74 ALDH1A1 (0.39) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL2006083 0.74 MAPT (0.52) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7760389 0.73
SCHEMBL7305076 0.72 CYP19A1 (0.43) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL7530322 0.72 MAPT (0.63) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL3453122 0.71 CA12 (0.53) TSHRGAAKDM4EALDH1A1MEN1
SCHEMBL1568984 0.71 NPC1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPK1

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
CN-1820006-A Substituted oxyarenes, and use thereof for controlling pests BAYER CROPSCIENCE AG (DE) 2006-08-16 CN disclosed
EP-1638962-A2 SUBSTITUTED OXYARENES UND DEREN VERWENDUNG ZUR BEKÄMPFUNG VON SCHÄDLINGEN Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2004099197-A2 SUBSTITUTED OXYARENES, AND USE THEREOF FOR CONTROLLING PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-11-18 WO disclosed