SCHEMBL9017858

SCHEMBL9017858

CN(C=Nc1ccncc1O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.34
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
AOC3 Q16853 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
GBA1 P04062 3/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
PRMT3 O60678 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TYR P14679 1/20 0.30
POLB P06746 2/20 0.30
TSHR P16473 2/20 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
SCHEMBL9017854 1.00 CACNA1B (0.34) CACNA1BADH1CADH1AAOC3CHRNB2
Maleic Acid SCHEMBL9681627 0.89 MEN1 (0.32) JAK3PRMT3ALDH1A1MEN1KMT2A
SCHEMBL9017856 0.79 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9017850 0.79 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9017918 0.78 BCHE (0.34) JAK3PRMT3ALDH1A1POLBTSHR
Maleic Acid SCHEMBL9017934 0.74 BCHE (0.31) JAK3PRMT3ALDH1A1MEN1KMT2A
Fumaric Acid SCHEMBL9017938 0.74 BCHE (0.31) JAK3PRMT3ALDH1A1MEN1KMT2A
SCHEMBL9017936 0.73 MEN1 (0.30) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
Dimethylcarbate SCHEMBL9679433 0.71 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
Dimethylcarbate SCHEMBL9679440 0.71 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A

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