SCHEMBL9017856

SCHEMBL9017856

CN(C)C=Nc1ccncc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TRPA1 O75762 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL9017850 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
Dimethylcarbate SCHEMBL9679433 0.91 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
Dimethylcarbate SCHEMBL9679440 0.91 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL9679933 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL9679926 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL9679398 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL9654632 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL9679510 0.83 KDM5A (0.34) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL9679504 0.83 KDM5A (0.34) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL9017876 0.83 MAPT (0.32) ALDH1A1KDM4EGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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