SCHEMBL28286128

SCHEMBL28286128

O=C(O)c1ccc(C(=O)c2cnc3ccccc3c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.78
TOP2A P11388 2/20 0.57
TOP2B Q02880 2/20 0.57
CHEK2 O96017 1/20 0.54
CFTR P13569 1/20 0.54
SRD5A2 P31213 3/20 0.53
BCAT1 P54687 1/20 0.50
KDR P35968 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PDE4D Q08499 1/20 0.47
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
HPGDS O60760 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
XBP1 P17861 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
FAAH O00519 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
SCHEMBL31629977 1.00 MGAM (0.78) MGAMTOP2ATOP2BCHEK2CFTR
SCHEMBL7371232 0.90 MGAM (0.76) MGAMTOP2ATOP2BCHEK2CFTR
SCHEMBL29362407 0.88 MGAM (1.00) MGAMTOP2ATOP2BCFTRBCAT1
Bromide SCHEMBL7374451 0.88 MGAM (0.73) MGAMTOP2ATOP2BCHEK2CFTR
SCHEMBL28048 0.88 MGAM (1.00) MGAMTOP2ATOP2BCFTRBCAT1
Hydrochloric Acid SCHEMBL1649216 0.86 MGAM (0.96) MGAMTOP2ATOP2BCFTRBCAT1
SCHEMBL27565246 0.86 MGAM (0.96) MGAMTOP2ATOP2BCFTRBCAT1
Hydrochloric Acid SCHEMBL9114407 0.86 MGAM (0.96) MGAMTOP2ATOP2BCFTRBCAT1
Ammonia Solution, Strong SCHEMBL27447121 0.86 MGAM (0.96) MGAMTOP2ATOP2BCFTRBCAT1
SCHEMBL27611260 0.86 MGAM (0.96) MGAMTOP2ATOP2BCFTRBCAT1

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-109688817-A The fluorescence detection and its analysis method of amine and hydrazine ILLUMINA公司 2019-04-26 CN disclosed