SCHEMBL3263025

SCHEMBL3263025

CCOC(=O)c1c(I)nn(-c2ccccc2)c1OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.60
LMNA P02545 1/20 0.53
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 3/20 0.50
TP53 P04637 1/20 0.50
ALOX12 P18054 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3262371 0.84 PDE4D (0.60) PDE4DLMNAALDH1A1KDM4EHPGD
SCHEMBL3264753 0.81 LMNA (0.61) PDE4DLMNAALDH1A1KDM4EHPGD
SCHEMBL27848785 0.76 PDE4D (0.75) PDE4DLMNAALDH1A1KDM4EHPGD
SCHEMBL13858518 0.75 LMNA (0.82) PDE4DLMNAALDH1A1KDM4EHPGD
SCHEMBL3262118 0.75 LMNA (0.61) PDE4DLMNAALDH1A1KDM4EHPGD
SCHEMBL6069548 0.75 PDE4D (1.00) PDE4DALDH1A1NPC1RAB9AMAPT
SCHEMBL3390032 0.74 ALDH1A1 (0.65) PDE4DLMNAALDH1A1KDM4EHPGD
SCHEMBL6103405 0.73 HPGD (0.75) PDE4DLMNAALDH1A1KDM4EHPGD
SCHEMBL3262908 0.73 LMNA (0.40) PDE4DLMNAALDH1A1HPGDHSD17B10
SCHEMBL3264275 0.73 ALDH1A1 (0.71) PDE4DLMNAALDH1A1KDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

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