SCHEMBL3263722

SCHEMBL3263722

CCOC(=O)c1c(-c2ccccc2)n[nH]c1OCC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.57
ADORA3 P0DMS8 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
TP53 P04637 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL11269746 0.85 HPGDS (0.61) HPGDSADORA3SMN1; SMN2MAPTKDM4E
SCHEMBL1969117 0.82 HPGDS (0.59) HPGDSADORA3SMN1; SMN2MAPTKDM4E
SCHEMBL17279852 0.80 HPGDS (0.60) HPGDSADORA3SMN1; SMN2MAPTKDM4E
SCHEMBL10924593 0.80 HPGDS (0.56) HPGDSADORA3SMN1; SMN2MAPTKDM4E
SCHEMBL3847496 0.77 HPGDS (0.60) HPGDSADORA3SMN1; SMN2MAPTKDM4E
SCHEMBL27321802 0.76 RAB9A (0.63) HPGDSADORA3SMN1; SMN2MAPTKDM4E
SCHEMBL14747477 0.76 HPGDS (0.52) HPGDSADORA3SMN1; SMN2MAPTKDM4E
SCHEMBL13495378 0.76 SMN1; SMN2 (0.52) HPGDSADORA3SMN1; SMN2MAPTKDM4E
SCHEMBL2375452 0.75 TTK (0.52) HPGDSSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL10172532 0.75 HPGDS (0.60) HPGDSADORA3SMN1; SMN2MAPTKDM4E

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