SCHEMBL3258079

SCHEMBL3258079

CN1C(=O)C(c2ccc(Br)cc2)Cc2c1n(C)c1ccc(C(=O)CC(=O)COC3CCCCO3)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EP300 Q09472 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31

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
SCHEMBL1339292 0.77 ALDH1A1 (0.34) ALDH1A1GAAHSD17B10SMN1; SMN2EP300
SCHEMBL1337155 0.69 DPP4 (0.34) KDM4ELMNAMAPK1PDE4BHPGD
SCHEMBL11864616 0.59 MEN1 (0.40) EP300CREBBPMEN1KMT2A
SCHEMBL1586652 0.59 KMT2A (0.54) ALDH1A1HSD17B10EP300CREBBPKDM4E
SCHEMBL13985724 0.59 KMT2A (0.47) ALDH1A1KDM4ELMNAHPGDMEN1
SCHEMBL9680069 0.59 MEN1 (0.46) ALDH1A1EP300CREBBPLMNAHPGD
SCHEMBL20847153 0.58 ALDH1A1 (0.51) ALDH1A1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL23952258 0.58 MEN1 (0.39) ALDH1A1SMN1; SMN2EP300CREBBPLMNA
SCHEMBL14745252 0.58 MEN1 (0.42) CREBBPPDE4BHPGDMEN1KMT2A
SCHEMBL7686383 0.57 KMT2A (0.39) ALDH1A1SMN1; SMN2CREBBPLMNAHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 — — EP disclosed
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