SCHEMBL3264753

SCHEMBL3264753

CCOC(=O)c1c(OCC)nn(-c2ccccc2)c1I

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
PDE4D Q08499 1/20 0.59
ALDH1A1 P00352 7/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 5/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 2/20 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
SCHEMBL3390032 0.86 ALDH1A1 (0.65) LMNAPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL3262118 0.85 LMNA (0.61) LMNAPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL13858518 0.85 LMNA (0.82) LMNAPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL3263025 0.81 PDE4D (0.60) LMNAPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL3387678 0.76 CYP2C9 (0.62) LMNAPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL3262371 0.75 PDE4D (0.60) LMNAPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL17295099 0.75 LMNA (0.49) LMNAPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL17290333 0.75 LMNA (0.49) LMNAPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL27848785 0.75 PDE4D (0.75) LMNAPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL3611588 0.74 LMNA (0.74) LMNAPDE4DALDH1A1CYP3A4CYP2C9

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