SCHEMBL8872002

SCHEMBL8872002

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.44
EDNRA P25101 14/20 0.44
KCNN4 O15554 1/20 0.43
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL16466672 0.81 KCNN4 (0.58) KCNN4MAPTKMT2AMEN1OPRM1
SCHEMBL8871463 0.78 EDNRB (0.51) EDNRBEDNRAKCNN4MAPTKMT2A
SCHEMBL8873369 0.77 EDNRB (0.49) EDNRBEDNRAKCNN4MAPTKMT2A
SCHEMBL8975814 0.77 EDNRB (0.47) EDNRBEDNRAKCNN4MAPTKMT2A
SCHEMBL8975735 0.77 EDNRB (0.47) EDNRBEDNRAKCNN4MAPTKMT2A
SCHEMBL9236776 0.76 EDNRB (0.46) EDNRBEDNRAMAPTKMT2AALDH1A1
SCHEMBL11400541 0.74 EDNRB (0.36) EDNRBEDNRAKCNN4MAPTKMT2A
SCHEMBL8975656 0.71 EDNRB (0.49) EDNRBEDNRAMAPTKMT2AKDM4E
SCHEMBL12095209 0.70 EDNRB (0.52) EDNRBEDNRAKCNN4
SCHEMBL11460269 0.70 KCNN4 (0.60) KCNN4MAPTKMT2AALDH1A1MEN1

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 1 patent. 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