SCHEMBL28256199

SCHEMBL28256199

O=c1c(Br)c(-c2cccs2)oc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
KDM4E B2RXH2 4/20 0.69
USP2 O75604 3/20 0.69
MAPK1 P28482 3/20 0.69
GAA P10253 2/20 0.69
HTT P42858 2/20 0.69
CASP1 P29466 2/20 0.69
CASP7 P55210 2/20 0.69
TSHR P16473 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAOA P21397 2/20 0.46
GLA P06280 1/20 0.46
PGAM1 P18669 1/20 0.46

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
SCHEMBL5246464 0.82 KDM4E (1.00) MEN1KMT2AKDM4EUSP2MAPK1
SCHEMBL20923496 0.78 KMT2A (0.68) MEN1KMT2AKDM4EUSP2MAPK1
SCHEMBL31723118 0.78 KMT2A (0.68) MEN1KMT2AKDM4EUSP2MAPK1
SCHEMBL28455071 0.77 KMT2A (0.62) MEN1KMT2AKDM4EUSP2MAPK1
SCHEMBL1534666 0.76 KMT2A (0.65) MEN1KMT2AKDM4EUSP2MAPK1
SCHEMBL29501080 0.76 KMT2A (0.65) MEN1KMT2AKDM4EUSP2MAPK1
SCHEMBL11634332 0.75 KDM4E (0.64) MEN1KMT2AKDM4EUSP2MAPK1
SCHEMBL11637200 0.74 KDM4E (0.62) MEN1KMT2AKDM4EUSP2MAPK1
SCHEMBL9387204 0.73 KDM4E (0.57) MEN1KMT2AKDM4EUSP2MAPK1
SCHEMBL7369040 0.73 NTRK1 (0.53) MEN1KMT2AKDM4EUSP2MAPK1

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
CN-106632194-B The method that Benzofurantone compound is prepared as CO source of release using iron pentacarbonyl 陕西师范大学 2018-12-07 CN disclosed