SCHEMBL8872070

SCHEMBL8872070

COc1cc(OC)nc(C(Cl)(C(=O)Cl)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.48
EDNRA P25101 13/20 0.48
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8975814 0.87 EDNRB (0.47) EDNRBEDNRACYP1A2MAPTKMT2A
Lithium Ion SCHEMBL8871070 0.86 EDNRB (0.46) EDNRBEDNRACYP1A2MAPTKMT2A
SCHEMBL8871426 0.80 EDNRB (0.42) EDNRBEDNRACYP1A2MAPTKMT2A
SCHEMBL8975656 0.75 EDNRB (0.49) EDNRBEDNRAMAPTKMT2AKDM4E
SCHEMBL8871463 0.73 EDNRB (0.51) EDNRBEDNRACYP1A2MAPTKMT2A
SCHEMBL1321231 0.73 CYP1A2 (0.70) CYP1A2MAPTKMT2AALDH1A1
SCHEMBL8873369 0.72 EDNRB (0.49) EDNRBEDNRACYP1A2MAPTKMT2A
SCHEMBL8975735 0.72 EDNRB (0.47) EDNRBEDNRACYP1A2MAPTKMT2A
SCHEMBL8872002 0.70 EDNRB (0.44) EDNRBEDNRACYP1A2MAPTKMT2A
SCHEMBL9341831 0.70 EDNRB (0.41) EDNRBEDNRA

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