SCHEMBL11063572

SCHEMBL11063572

O=P(O)(Oc1ccccn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNA5 P22460 1/20 0.40
SRC P12931 1/20 0.38
CFTR P13569 1/20 0.38
FDPS P14324 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL27497879 0.81 CA2 (0.46) CA2CA4CA5ACA12CA1
SCHEMBL3514513 0.81 SRC (0.48) CA2CA4CA5AKDM4EALDH1A1
SCHEMBL9806698 0.81 KDM4E (0.46) CA2CA4CA5AKDM4EALDH1A1
SCHEMBL11631051 0.80 CA2 (0.39) CA2CA4CA5AKDM4ENPSR1
SCHEMBL28997266 0.79 SRC (0.47) CA2CA4CA5AKDM4EALDH1A1
SCHEMBL10662464 0.78 FDPS (0.40) CA2CA4CA5AKDM4ESRC
SCHEMBL27213564 0.78 TSHR (0.41) CA2CA4CA5AKDM4EALDH1A1
SCHEMBL6576573 0.77 KDM4E (0.44) CA2CA1KDM4ENPSR1ALDH1A1
SCHEMBL28901681 0.75 SRC (0.38) CA2CA4CA5AKDM4ESRC
SCHEMBL27447072 0.74 TSHR (0.44) KDM4EALDH1A1FDPSNPC1RAB9A

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-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 US disclosed