SCHEMBL10988134

SCHEMBL10988134

CN1C=CN(c2ccccc2O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 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
SCHEMBL16728719 0.78 SMN1; SMN2 (0.42) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL8334894 0.77 GSK3A (0.38) ALDH1A1HPGDGAAKDM4EMAPT
Iodide SCHEMBL15993211 0.76 GSK3A (0.37) ALDH1A1L3MBTL1
SCHEMBL14675416 0.76 MGLL (0.43) MAPTLMNAMEN1KMT2ADRD2
SCHEMBL21913058 0.74 KDM4E (0.34) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL20201467 0.72 ADRB1 (0.43) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL666883 0.71 MAPT (0.37) HPGDHIF1AHSD17B10CYP2D6MAPT
Iodide SCHEMBL28360230 0.69 MAPT (0.36) HPGDHIF1AHSD17B10CYP2D6MAPT
Iodide SCHEMBL3820109 0.69 MAPT (0.36) HPGDHIF1AHSD17B10CYP2D6MAPT
Hydrochloric Acid SCHEMBL384463 0.69 MAPT (0.36) HPGDHIF1AHSD17B10CYP2D6MAPT

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
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 EP disclosed