SCHEMBL9732006

SCHEMBL9732006

CC(=O)NCCC(=O)NCCN

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.52
HIF1A Q16665 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.41
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4A O75164 1/20 0.37
TET2 Q6N021 1/20 0.37
DOHH Q9BU89 1/20 0.37
SLC6A5 Q9Y345 2/20 0.37
CASP2 P42575 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAAA Q02083 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL9732392 0.98 PAOX (0.50) PAOXHIF1AKDM4EMAPK1TSHR
SCHEMBL43340 0.86
Hydrochloric Acid SCHEMBL6045196 0.84
Ammonia Solution, Strong SCHEMBL9178426 0.84
Bromide SCHEMBL5490790 0.84
SCHEMBL27643070 0.84
SCHEMBL29061039 0.84
Acetic Acid SCHEMBL28175735 0.81 PAOX (0.60) PAOXHIF1AKDM4EMAPK1TSHR
Acetic Acid SCHEMBL538702 0.81 PAOX (0.60) PAOXHIF1AKDM4EMAPK1TSHR
SCHEMBL8435849 0.81 TSHR (0.62) PAOXHIF1AKDM4EMAPK1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173510-A Anticholesterol agents AMERICAN CYANAMID COMPANY (US) 1992-12-22 US disclosed
US-5053426-A Enzyme inhibitors AMERICAN CYANAMID COMPANY (US) 1991-10-01 US disclosed