SCHEMBL8896547

SCHEMBL8896547

COc1cc[n+]([O-])c(CC(=N)CO)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
BCL2 P10415 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8899748 0.85 PRSS1 (0.34) PRSS1PRSS2PRSS3KDM4EALDH1A1
SCHEMBL8898856 0.85 MAPK14 (0.36)
SCHEMBL8896873 0.83 KMT2A (0.35) KDM4EALDH1A1
SCHEMBL21056503 0.80 KDM4E (0.37) BCL2KDM4EALDH1A1
SCHEMBL8899078 0.80
SCHEMBL8897244 0.78 HTR3E (0.32)
SCHEMBL8897704 0.77 IDO1 (0.31)
SCHEMBL8897467 0.77 PRSS1 (0.33) PRSS1PRSS2PRSS3
SCHEMBL8898657 0.76
SCHEMBL10752466 0.75 BCL2 (0.38) BCL2ALDH1A1

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-5627136-A HERBICIDES, ANTIGROWTH REGULATORS AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed