SCHEMBL8871840

SCHEMBL8871840

COC(=O)C(c1ccccc1)c1nc(OC)cc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.44
EDNRB P24530 5/20 0.43
EDNRA P25101 5/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 2/20 0.42
GFER P55789 1/20 0.42
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CTSA P10619 1/20 0.41
KLK7 P49862 1/20 0.40

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
SCHEMBL9879365 0.88 EDNRB (0.48) KMT2AALDH1A1POLBKDM4EEDNRB
SCHEMBL9878688 0.87 EDNRB (0.44) KMT2AALDH1A1POLBEDNRBEDNRA
SCHEMBL1578804 0.78 KMT2A (0.69) KMT2AALDH1A1POLBCYP1A2PTGS1
SCHEMBL12096276 0.77 EDNRB (0.53) KMT2AEDNRBEDNRA
SCHEMBL9459527 0.77 EDNRB (0.53) KMT2AEDNRBEDNRA
SCHEMBL9341854 0.74 EDNRB (0.42) KMT2AEDNRBEDNRAMEN1
SCHEMBL9340022 0.74 CTSA (0.53) KMT2AALDH1A1KDM4EEDNRBEDNRA
SCHEMBL7936610 0.73 KMT2A (0.43) KMT2AEDNRBEDNRAMAPTTP53
SCHEMBL28833357 0.72 KLK7 (0.62) KMT2AALDH1A1POLBMAPTTP53
SCHEMBL8975752 0.72 SLC6A3 (0.40) KMT2AALDH1A1KDM4EEDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5604181-A Pyrimidine derivatives herbicides AGREVO UK LIMITED (GB) 1997-02-18 US disclosed
US-5502028-A Herbicidal pyrimidinyl or triazinyl haloacetic acid derivatives SCHERING AGROCHEMICALS LIMITED (GB) 1996-03-26 US disclosed
EP-0660829-A1 PYRIMIDINE DERIVATIVE HERBICIDES AgrEvo UK Limited (GB) 1995-07-05 EP disclosed
WO-1994005644-A1 PYRIMIDINE DERIVATIVE HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1994-03-17 WO 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