SCHEMBL8769129

SCHEMBL8769129

CNC(=NNOC(=O)Oc1ccccc1)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 1/20 0.37
GCK P35557 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
HSP90AA1 P07900 1/20 0.34
TSHR P16473 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 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
SCHEMBL8768676 0.84 ALDH1A1 (0.43) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL8877445 0.78 ALDH1A1 (0.44) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL29250 0.72 HPGD (0.57) ALDH1A1MAPTUSP2HPGDKDM4E
SCHEMBL27496383 0.72 HPGD (0.57) ALDH1A1MAPTUSP2HPGDKDM4E
SCHEMBL27733071 0.70 ALDH1A1 (0.52) ALDH1A1MAPTUSP2HPGDKDM4E
Bicarbonate SCHEMBL3691134 0.70 HPGD (0.55) ALDH1A1MAPTUSP2HPGDKDM4E
SCHEMBL3691133 0.70 ALDH1A1 (0.52) ALDH1A1MAPTUSP2HPGDKDM4E
SCHEMBL8231634 0.70 HPGD (0.55) ALDH1A1MAPTUSP2HPGDKDM4E
SCHEMBL6537222 0.70 HPGD (0.55) ALDH1A1MAPTUSP2HPGDKDM4E
SCHEMBL27887794 0.69 ALDH1A1 (0.50) ALDH1A1MAPTUSP2HPGDKDM4E

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-0703224-B1 Process for the preparation of alkoxytriazolinones BAYER AG (DE) 1997-09-03 EP disclosed
EP-0703224-A1 Process for the preparation of alkoxytriazolinones BAYER AG (DE) 1996-03-27 EP disclosed