SCHEMBL3262908

SCHEMBL3262908

CCOC(=O)c1c(I)nn(S(C)(=O)=O)c1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
PDE4D Q08499 4/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL3263164 0.78 PDE4D (0.39) LMNAALDH1A1NPSR1HTTPKM
SCHEMBL3263025 0.73 PDE4D (0.60) LMNAALDH1A1PDE4DSMN1; SMN2HSD17B10
SCHEMBL26926704 0.68 KMT2A (0.47) LMNAALDH1A1PDE4DCA12CA1
SCHEMBL24133585 0.66 ALDH1A1 (0.46) LMNAALDH1A1HTTPKMMAPK1
SCHEMBL3263297 0.66 KDM4E (0.32) NPSR1PKMKMT2AHPGD
SCHEMBL31325016 0.65 PDE4D (0.39) LMNAALDH1A1NPSR1MAPK1PDE4D
SCHEMBL3264755 0.64 CA12 (0.33) LMNAALDH1A1NPSR1HTTPKM
SCHEMBL16708862 0.64 KMT2A (0.46) ALDH1A1NPSR1MAPK1PDE4DCA12
SCHEMBL26926815 0.63 PDE4D (0.71) ALDH1A1NPSR1HTTMAPK1PDE4D
SCHEMBL24553751 0.63 ELANE (0.39) LMNAALDH1A1SMN1; SMN2

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