SCHEMBL4974321

SCHEMBL4974321

O=C(O)Nc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.70
▸ KDM4E B2RXH2 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ GAA P10253 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MAPK14 Q16539 2/20 0.60
▸ BRAF P15056 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ LTA4H P09960 1/20 0.58
▸ MAPK13 O15264 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK12 P53778 1/20 0.57
▸ MAPK11 Q15759 1/20 0.57

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
SCHEMBL11926736 0.88 KDM4E (0.65) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7862109 0.83 KDR (0.63) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL1801810 0.83 CD274 (0.62) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL5943713 0.83 KCNA5 (0.55) KDM4ELTA4H
SCHEMBL4014247 0.82 EPHX2 (0.79) EPHX2ALDH1A1RAB9ALTA4H
SCHEMBL4256144 0.82 EPHX2 (1.00) EPHX2
SCHEMBL16178361 0.82 EPHX2 (0.57) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL31289932 0.82 EPHX2 (0.65) EPHX2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL991354 0.82 ALDH1A1 (0.76) KDM4EALDH1A1GAASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL10768966 0.82 EPHX2 (0.57) EPHX2KDM4EALDH1A1GAASMN1; 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
EP-1991547-A2 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS PHARMACOPEIA, INC. (US) 2008-11-19 — — EP disclosed
WO-2007104053-A2 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS PHARMACOPEIA, INC. (US) 2007-09-13 — — WO disclosed
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