SCHEMBL8896428

SCHEMBL8896428

CC(C)OC(=O)N[C@H](C(=O)NC(C)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MAOB P27338 6/20 0.45
MAOA P21397 2/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MMP2 P08253 1/20 0.43
POLB P06746 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
F12 P00748 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.37
XDH P47989 1/20 0.37
CYP1A2 P05177 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
SCHEMBL8899217 0.88 MAPT (0.47) CA12CA9MAOBMAOAGAA
SCHEMBL9411031 0.85 CA12 (0.44) CA12CA9MAOBMAOAGAA
SCHEMBL8896870 0.83 ALOX5 (0.45) MAOBMMP2KMT2AMEN1ALDH1A1
SCHEMBL8896748 0.83 MAOB (0.37) MAOBKMT2AMEN1
SCHEMBL8896149 0.81 MAOB (0.49) CA12CA9MAOBMAOAGAA
Hydrochloric Acid SCHEMBL8899283 0.80 MAOB (0.48) CA12CA9MAOBMAOAGAA
Hydrochloric Acid SCHEMBL8899276 0.75 POLB (0.49) CA12CA9MAOBMAOAGAA
SCHEMBL9411037 0.75 MAPT (0.41) CA12CA9MAOBMAOAGAA
SCHEMBL8060783 0.74 ALOX5 (0.46) MAOBMAPTMMP2KMT2AMEN1
SCHEMBL8896522 0.73 TAS1R3 (0.44) MAOBMMP2KMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP claimed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP claimed
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP disclosed