SCHEMBL14706559

SCHEMBL14706559

COc1cc(Nc2cc3c4c(ccc5c6c(Nc7cc(O)c(O)c(O)c7)cc7c8c(ccc(c2c45)c86)C(=O)N(c2ccc(N(c4ccccc4)c4ccccc4)cc2)C7=O)C(=O)N(c2ccc(N(c4ccccc4)c4ccccc4)cc2)C3=O)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ COQ8A Q8NI60 1/20 0.33
▸ NLK Q9UBE8 1/20 0.33
▸ RAD52 P43351 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL14706550 0.92 ALDH1A1 (0.37) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL14706557 0.77 KDM4E (0.42) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL14706554 0.75 KMT2A (0.41) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL14706551 0.73 MEN1 (0.41) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL14706341 0.69 KMT2A (0.41) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL12395619 0.68 KMT2A (0.49) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL14706555 0.68 MEN1 (0.41) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL21536928 0.67 KMT2A (0.42) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL14706552 0.66 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL14828575 0.65 ALDH1A1 (0.40) ALDH1A1POLBMEN1KMT2AHTT

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
US-8378336-B2 Liquid crystalline organic semiconductor material and organic electron device FUJIFILM CORPORATION (JP) 2013-02-19 — — US disclosed
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