SCHEMBL12333471

SCHEMBL12333471

O=C1C(Nc2cccc(OCl)c2)=C(N2CCCC2)C(=O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.67
▸ APAF1 O14727 12/20 0.67
▸ ALDH1A1 P00352 10/20 0.67
▸ SMN1; SMN2 Q16637 7/20 0.67
▸ L3MBTL1 Q9Y468 6/20 0.67
▸ MEN1 O00255 6/20 0.67
▸ KMT2A Q03164 6/20 0.67
▸ HTT P42858 5/20 0.67
▸ RAB9A P51151 5/20 0.67
▸ GAA P10253 5/20 0.67
▸ NPSR1 Q6W5P4 4/20 0.67
▸ NSD2 O96028 3/20 0.67
▸ NPC1 O15118 5/20 0.66
▸ POLB P06746 5/20 0.66
▸ LMNA P02545 4/20 0.66
▸ MITF O75030 2/20 0.66
▸ KLF5 Q13887 1/20 0.66
▸ MAPK1 P28482 4/20 0.56
▸ PTBP1 P26599 1/20 0.56
▸ CDC25A P30304 2/20 0.54

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
SCHEMBL2462511 0.88 MAPT (0.67) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2462507 0.87 APAF1 (0.69) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16297270 0.84 MAPT (0.71) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16297028 0.82 MAPT (0.73) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7247303 0.81 MAPT (0.97) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16297241 0.81 APAF1 (0.71) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2462638 0.81 MAPT (0.71) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2464285 0.81 APAF1 (0.72) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16297187 0.80 APAF1 (1.00) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2465538 0.80 MAPT (1.00) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1

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
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 — — WO disclosed
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