SCHEMBL10458702

SCHEMBL10458702

C=CCOC(=N)c1ccc(NC(=O)NCC(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
F7 P08709 9/20 0.40
LMNA P02545 2/20 0.38
F2 P00734 5/20 0.38
F10 P00742 2/20 0.38
NAMPT P43490 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL10458302 0.90 MAPT (0.42) CA12CA1CA2CA9MAPT
SCHEMBL10458660 0.79 KDM4E (0.52) CA12CA1CA2CA9MAPT
SCHEMBL4416626 0.78 PPID (0.55) CA12CA1CA2CA9MAPT
SCHEMBL10457955 0.77 MAPT (0.42) CA12CA1CA2CA9MAPT
SCHEMBL10457954 0.77 MAPT (0.42) CA12CA1CA2CA9MAPT
SCHEMBL7612708 0.76 CA12 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL10458703 0.75 CA12 (0.49) CA12CA1CA2CA9MAPT
SCHEMBL10633474 0.74 CA12 (0.65) CA12CA1CA2CA9MAPT
SCHEMBL10458661 0.72 PPID (0.40) CA12CA1CA2CA9MAPT
SCHEMBL17782894 0.71 RAB9A (0.68) CA12CA1CA2CA9MAPT

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-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed