SCHEMBL3263164

SCHEMBL3263164

CCOC(=O)c1c(OCC)nn(S(C)(=O)=O)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPK1 P28482 3/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
PKM P14618 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HSD17B10 Q99714 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3262908 0.78 LMNA (0.40) PDE4DSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL3264753 0.72 LMNA (0.61) PDE4DSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL3265324 0.67 PDE4D (0.53) PDE4DSMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL3263157 0.66 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL18113731 0.65 CA12 (0.48) PDE4DSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL3260996 0.65 PDE4D (0.69) PDE4DSMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL8813971 0.63 LMNA (0.39) PDE4DSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL1613436 0.63 ALDH1A1 (0.43) PDE4DSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL20709969 0.63 ALDH1A1 (0.46) PDE4DSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL11008658 0.62 ALDH1A1 (0.62) PDE4DSMN1; SMN2LMNAALDH1A1MAPK1

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