SCHEMBL4660140

SCHEMBL4660140

O=C(Oc1ccccc1)n1c(C(F)(F)F)nc2c(Br)c(Br)c(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.36
APEX1 P27695 1/20 0.35
LMNA P02545 1/20 0.35
OGT O15294 1/20 0.35
CYP2C9 P11712 2/20 0.33
AADAT Q8N5Z0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAOB P27338 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
SCHEMBL4660245 0.81
SCHEMBL4660132 0.78 ALDH1A1 (0.40) ALDH1A1MAPTPKMTSHRMAPK1
SCHEMBL8855452 0.75 MEN1 (0.45) ALDH1A1MAPTPKMTSHRMAPK1
SCHEMBL11641799 0.74 OGT (0.40) ALDH1A1MAPTPKMTSHRMAPK1
SCHEMBL118829 0.74 ALDH1A1 (0.45) ALDH1A1MAPTPKMTSHRMAPK1
SCHEMBL11643397 0.74 MAPT (0.48) ALDH1A1MAPTPKMTSHRMAPK1
SCHEMBL29394219 0.74 ALDH1A1 (0.45) ALDH1A1MAPTPKMTSHRMAPK1
SCHEMBL11463893 0.71 ALDH1A1 (0.41) ALDH1A1MAPTPKMTSHRMAPK1
SCHEMBL8855552 0.68 MEN1 (0.43) ALDH1A1MAPTPKMTSHRMAPK1
SCHEMBL8855615 0.65 FAAH (0.40) ALDH1A1MAPTTSHRKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0981626-B1 FUNGICIDAL TEST METHOD BAYER CROPSCIENCE LTD (GB) 2008-12-17 EP claimed
EP-0981626-B1 FUNGICIDAL TEST METHOD BAYER CROPSCIENCE LTD (GB) 2008-12-17 EP disclosed