SCHEMBL9017844

SCHEMBL9017844

CN(C)C=Nc1ccncc1OC(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
BCHE P06276 2/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL9017842 1.00 HSP90AA1 (0.42) HSP90AA1BCHEACHEKMT2AALDH1A1
SCHEMBL9017886 0.84 KDM4E (0.36) BCHEACHEKMT2AALDH1A1KDM4E
SCHEMBL9017883 0.84 KDM4E (0.36) BCHEACHEKMT2AALDH1A1KDM4E
SCHEMBL9017908 0.82 KDM4E (0.39) BCHEKMT2AALDH1A1KDM4EMEN1
SCHEMBL9017903 0.82 KDM4E (0.39) BCHEKMT2AALDH1A1KDM4EMEN1
SCHEMBL9017843 0.81 RAB9A (0.38) BCHEALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL9017846 0.81 RAB9A (0.38) BCHEALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL9680966 0.80 SMN1; SMN2 (0.42) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL9680971 0.80 SMN1; SMN2 (0.42) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL9017866 0.77 MEN1 (0.41) KMT2AALDH1A1KDM4EMEN1MAPT

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