SCHEMBL2485933

SCHEMBL2485933

CCN(C(=O)c1c(CO)c2ccccc2[nH]c1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 7/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL15200926 0.86 MEN1 (0.41) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL9557849 0.85 KDM4E (0.48) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL5788461 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2ATSHRGLA
SCHEMBL11290508 0.80 KDM4E (0.41) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL16099384 0.79 KDM4E (0.68) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL11983169 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL2485564 0.75 MEN1 (0.45) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL11288880 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL11292140 0.74 KDM4E (0.38) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL11286613 0.74 KDM4E (0.66) ALDH1A1KDM4ETDP1MEN1KMT2A

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
EP-2376456-A2 HIGHLY PURE LAQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Actavis Group Ptc Ehf (IS) 2011-10-19 — — EP claimed
WO-2010070449-A2 HIGHLY PURE LAQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-06-24 — — WO claimed
EP-2376456-A2 HIGHLY PURE LAQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Actavis Group Ptc Ehf (IS) 2011-10-19 — — EP disclosed
WO-2010070449-A2 HIGHLY PURE LAQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-06-24 — — WO disclosed
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