SCHEMBL13639298

SCHEMBL13639298

COc1ccc(N=O)cc1B1OCC(C)(C)CO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 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
SCHEMBL15304198 0.80 ACHE (0.43) SNCAKDM4EMAPTALDH1A1MEN1
SCHEMBL5892425 0.78 ALDH1A1 (0.39) SNCAKDM4EALDH1A1HTR3EHTR3B
SCHEMBL10290477 0.77 ALDH1A1 (0.31) ALDH1A1HTT
SCHEMBL2723790 0.77 TDP1 (0.49) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL17940744 0.74 CA1 (0.40) SNCAMAPTALDH1A1HTT
SCHEMBL7163811 0.72 NPC1 (0.34) SNCAKDM4EALDH1A1HTT
SCHEMBL10258968 0.71 TNKS2 (0.40) KDM4E
SCHEMBL15304200 0.71 ACHE (0.43) SNCAKDM4EMAPTALDH1A1MEN1
SCHEMBL15976369 0.70 DRD2 (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14261558 0.70 IDO1 (0.45) SNCAKDM4EMAPTALDH1A1HTT

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-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed