SCHEMBL9679398

SCHEMBL9679398

CCN(CC)C(=O)O.CN(C)/C=N/c1ccncc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
P2RX4 Q99571 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 4/20 0.33
HTT P42858 4/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL9654632 1.00 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ARXFP1
Dimethylcarbate SCHEMBL9679433 0.88 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ARXFP1
Dimethylcarbate SCHEMBL9679440 0.88 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ARXFP1
SCHEMBL9017850 0.84 ALDH1A1 (0.35) ALDH1A1MEN1MAPTKMT2ARXFP1
SCHEMBL9017856 0.84 ALDH1A1 (0.35) ALDH1A1MEN1MAPTKMT2ARXFP1
SCHEMBL9679510 0.83 KDM5A (0.34) ALDH1A1MEN1MAPTKMT2ARXFP1
SCHEMBL9679504 0.83 KDM5A (0.34) ALDH1A1MEN1MAPTKMT2ARXFP1
SCHEMBL9017887 0.83 P2RX4 (0.33) ALDH1A1MEN1MAPTKMT2ARXFP1
SCHEMBL9679926 0.82 ALDH1A1 (0.36) ALDH1A1MEN1MAPTKMT2ARXFP1
SCHEMBL9679933 0.82 ALDH1A1 (0.36) ALDH1A1MEN1MAPTKMT2ARXFP1

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 1 patent. 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 disclosed