SCHEMBL11289352

SCHEMBL11289352

NC(=O)CONC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.50
CASP1 P29466 2/20 0.49
PLAU P00749 1/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL2170988 0.88 CA12 (0.64) TP53MAPTCA12CA1CA2
SCHEMBL7764162 0.86 CA12 (0.65) CA12CA1CA2CA9LMNA
SCHEMBL19400415 0.83 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL28179229 0.81 CA12 (0.59) MAPTCA12CA1CA2CA9
SCHEMBL119805 0.80 CA12 (0.67) CA12CA1CA2CA9LMNA
SCHEMBL23067457 0.80 CA12 (0.58) CA12CA1CA2CA9LMNA
SCHEMBL28347887 0.79 CA12 (0.61) TP53MAPTCA12CA1CA2
SCHEMBL24915804 0.79 SYK (0.51) TP53MAPTCA12CA1CA2
SCHEMBL28433159 0.79 CA12 (0.63) TP53MAPTCA12CA1CA2
SCHEMBL4649681 0.79 CA12 (0.56) MAPTCA12CA1CA2CA9

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
EP-0055490-A1 Tetrahydro-1,2,4-oxadiazin-5-one derivatives, processes for their preparation and medicines containing these compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1982-07-07 EP disclosed