SCHEMBL8897555

SCHEMBL8897555

CCOc1ccc(CC(=N)CO)[n+]([O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
NQO1 P15559 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LTA4H P09960 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8897467 0.85 PRSS1 (0.33) PRSS1PRSS2PRSS3CA12CA1
SCHEMBL8896575 0.85 MMP1 (0.31) PRSS1SMN1; SMN2
SCHEMBL8897140 0.82 CYP17A1 (0.32) ALDH1A1KDM4EMAPT
SCHEMBL8899748 0.78 PRSS1 (0.34) PRSS1PRSS2PRSS3NQO1ALDH1A1
SCHEMBL8896663 0.77 IDO1 (0.35) CA2ALDH1A1SMN1; SMN2
SCHEMBL8898600 0.76
SCHEMBL8899072 0.73 F11 (0.30)
SCHEMBL8897728 0.71 PRSS1 (0.32) PRSS1PRSS2PRSS3
SCHEMBL8897392 0.71
SCHEMBL8897409 0.71

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