SCHEMBL13495378

SCHEMBL13495378

CCOC(=O)c1c(OCC)n[nH]c1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HPGDS O60760 1/20 0.48
▸ ADORA3 P0DMS8 3/20 0.48
▸ TP53 P04637 1/20 0.46
▸ SLC34A1 Q06495 2/20 0.46
▸ PDE4D Q08499 1/20 0.44

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
SCHEMBL19209480 0.85 PDE4D (0.59) SMN1; SMN2MAPK10HTTMAPTKDM4E
SCHEMBL28346436 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPK10HTTMAPTKDM4E
SCHEMBL3262663 0.79 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL3265324 0.78 PDE4D (0.53) SMN1; SMN2MAPK10HTTMAPTKDM4E
SCHEMBL17279852 0.77 HPGDS (0.60) SMN1; SMN2MAPK10HTTMAPTKDM4E
SCHEMBL3260996 0.76 PDE4D (0.69) SMN1; SMN2MAPK10HTTMAPTKDM4E
SCHEMBL6852749 0.76 KDM4E (0.57) SMN1; SMN2MAPK10HTTMAPTKDM4E
SCHEMBL3263722 0.76 HPGDS (0.57) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL3260077 0.75 TTK (0.42) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL3261776 0.75 MAPK1 (0.50) SMN1; SMN2MAPTKDM4EALDH1A1HPGD

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
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
Send feedback