SCHEMBL9017936

SCHEMBL9017936

CN(C)C(=O)OC(=O)/C=C\C(=O)Oc1cnccc1N=CN(C)C1CCCCC1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9017918 0.89 BCHE (0.34) ALDH1A1MAPK1
Maleic Acid SCHEMBL9017934 0.86 BCHE (0.31) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
Fumaric Acid SCHEMBL9017938 0.86 BCHE (0.31) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL9017932 0.76 MAPT (0.31)
SCHEMBL9017854 0.73 CACNA1B (0.34) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL9017858 0.73 CACNA1B (0.34) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
Maleic Acid SCHEMBL9681627 0.73 MEN1 (0.32) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL9017843 0.72 RAB9A (0.38) ALDH1A1SMN1; SMN2
SCHEMBL9017846 0.72 RAB9A (0.38) ALDH1A1SMN1; SMN2
SCHEMBL9017875 0.69 ACHE (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477903-B1 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-04-03 EP disclosed
EP-0477903-A2 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-01 EP disclosed