SCHEMBL8975746

SCHEMBL8975746

COc1nc(OC)nc(C(F)(COC(C)=O)C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9524120 0.78 MEN1 (0.32) MEN1KMT2AMAPTNPSR1
SCHEMBL2536484 0.62 POLB (0.43) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1109013 0.61 NPSR1 (0.42) ALDH1A1CYP1A2MAPTHTTNPSR1
SCHEMBL25858042 0.61 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL6876173 0.61 ALDH1A1 (0.46) ALDH1A1HTT
SCHEMBL333504 0.61
SCHEMBL12445294 0.61 ALDH1A1 (0.46) ALDH1A1HTT
SCHEMBL29791687 0.60 ALDH1A1 (0.40) ALDH1A1HTT
SCHEMBL28931281 0.59 HTT (0.48) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL85841 0.59

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
US-5502028-A Herbicidal pyrimidinyl or triazinyl haloacetic acid derivatives SCHERING AGROCHEMICALS LIMITED (GB) 1996-03-26 US disclosed
EP-0575404-A1 HERBICIDES AgrEvo UK Limited (GB) 1993-12-29 EP disclosed
WO-1992016511-A1 HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-10-01 WO disclosed