SCHEMBL25846141

SCHEMBL25846141

I/N=C1\COc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
NOTUM Q6P988 1/20 0.38
LMNA P02545 2/20 0.38
MAOA P21397 1/20 0.38
ALPL P05186 1/20 0.37
CYP19A1 P11511 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36

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
SCHEMBL1266177 0.79 RAD52 (0.46) MAOBPKMTSHRKMT2ATHRB
SCHEMBL1266178 0.79 RAD52 (0.46) MAOBPKMTSHRKMT2ATHRB
SCHEMBL16378813 0.79 ALDH1A1 (0.41) MAOBPKMTSHRKMT2ATHRB
SCHEMBL20205871 0.79 KDM4E (0.41) MAOBPKMTSHRKMT2ATHRB
SCHEMBL19368247 0.79 RAD52 (0.46) MAOBPKMTSHRKMT2ATHRB
SCHEMBL16378822 0.79 ALDH1A1 (0.41) MAOBPKMTSHRKMT2ATHRB
SCHEMBL6653939 0.75 MIF (0.40) MAOBPKMTSHRKMT2AKDM4E
SCHEMBL6656648 0.75 MIF (0.40) MAOBPKMTSHRKMT2AKDM4E
SCHEMBL18924655 0.75 MIF (0.40) MAOBPKMTSHRKMT2AKDM4E
SCHEMBL13130686 0.71 MAPT (0.35) MAOBPKMTSHRKMT2AKDM4E

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
EP-3303312-B1 PROCESS FOR PREPARING (E)-(5,6-DIHYDRO-1,4,2-DIOXAZINE-3-YL)(2-HYDROXYPHENYL)METHANONE O-METHYL OXIME ARYSTA LIFESCIENCE CORP (JP) 2023-07-19 EP disclosed