SCHEMBL9017910

SCHEMBL9017910

CC(C)N(C=Nc1ccncc1OC(=O)N(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 5/20 0.37
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9017843 0.87 RAB9A (0.38) NCEH1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL9017846 0.87 RAB9A (0.38) NCEH1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL9017888 0.82 BCHE (0.35) NCEH1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL9017940 0.81 NCEH1 (0.34) NCEH1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL9017939 0.81 NCEH1 (0.34) NCEH1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL9017941 0.79 NCEH1 (0.37) NCEH1LMNATSHR
SCHEMBL9017918 0.78 BCHE (0.34) NCEH1KDM4EGAAALDH1A1HPGD
SCHEMBL9017937 0.78 TSHR (0.46) RAB9AKDM4ELMNASMN1; SMN2GAA
SCHEMBL9017935 0.78 TSHR (0.46) RAB9AKDM4ELMNASMN1; SMN2GAA
SCHEMBL9017860 0.78 BCHE (0.38) NCEH1RAB9AKDM4EALDH1A1HPGD

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