SCHEMBL7172196

SCHEMBL7172196

CCc1cc(Br)cc(CC)c1-c1c(O)c(C)c(-c2ccccn2)oc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOA P21397 1/20 0.35
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 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
SCHEMBL11989364 0.87 MAOA (0.39) KDM4EHPGDTSHRNPSR1HSD17B10
SCHEMBL7223514 0.80 MAOA (0.41) KDM4EHPGDTSHRNPSR1HSD17B10
SCHEMBL11989369 0.76 RAB9A (0.42) KDM4EHPGDTSHRNPSR1HSD17B10
SCHEMBL11989365 0.74 ERN1 (0.40) KDM4EHPGDTSHRNPSR1HSD17B10
SCHEMBL6948407 0.73 MAOA (0.40) KDM4EHPGDTSHRNPSR1HSD17B10
SCHEMBL14609733 0.73 KDM4E (0.38) KDM4EHPGDTSHRNPSR1HSD17B10
SCHEMBL6560778 0.73 MAOA (0.40) KDM4EHPGDTSHRNPSR1HSD17B10
SCHEMBL1476544 0.65 ACLY (0.40) HPGDTSHRMAPTMAOAALDH1A1
SCHEMBL4383313 0.63 NPC1 (0.42) KDM4EHPGDMAPTMEN1KMT2A
SCHEMBL9883927 0.61 CNR2 (0.39) MAPTMEN1KMT2AALDH1A1CNR2

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-0835243-B1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
EP-0835243-A1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1998-04-15 EP disclosed
WO-1997002243-A1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-23 WO disclosed