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SCHEMBL19335699

SCHEMBL19335699

c1ccc(N2c3ccc(N4c5ccccc5S(c5ccccc5)(c5ccccc5)c5ccccc54)cc3S(c3ccccc3)(c3ccccc3)c3cc(N4c5ccccc5S(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ GNG2 P59768 1/20 0.31
▸ GNB1 P62873 1/20 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
SCHEMBL20029201 0.88 FAAH (0.35) CES2ALDH1A1BCHEGAACES1
SCHEMBL20160860 0.81 MGLL (0.44) ALDH1A1GAA
SCHEMBL24140688 0.80 ALDH1A1 (0.41) CES2ALDH1A1BCHEGAACES1
SCHEMBL24555250 0.79 FAAH (0.31) ALDH1A1
SCHEMBL19335709 0.78 CHRNA7 (0.33) ALDH1A1HPGD
SCHEMBL26293916 0.78 ADRA2A (0.30) —
SCHEMBL24703454 0.78 MAPT (0.33) CES2ALDH1A1BCHEGAACES1
SCHEMBL23344699 0.77 KDM4E (0.47) ALDH1A1
SCHEMBL22522876 0.76 L3MBTL1 (0.37) ALDH1A1NPSR1HPGD
SCHEMBL24555190 0.76 L3MBTL1 (0.50) ALDH1A1

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-9761811-B2 Organic electroluminescence element and material for organic electroluminescence element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-09-12 — — US disclosed
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