SCHEMBL13890878

SCHEMBL13890878

C=CC(C)(C)c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 11/20 0.51
▸ TNF P01375 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ MC5R P33032 1/20 0.42

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
SCHEMBL108180 0.80 CASR (0.58) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL227210 0.80 CASR (0.58) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL7544923 0.77 CASR (0.64) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL9037002 0.76 THRB (0.51) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL9052764 0.76 CASR (0.51) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL11684325 0.75 THRB (0.54) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL24496148 0.74 CASR (0.53) CASRTNFNOD1ALDH1A1L3MBTL1
SCHEMBL21706357 0.74 CASR (0.53) CASRTNFNOD1FBP1
SCHEMBL12545796 0.74 CASR (0.53) CASRTNFNOD1L3MBTL1FBP1
SCHEMBL5720317 0.74 CASR (0.51) CASRALDH1A1L3MBTL1MAPTADRA2A

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-2051249-A1 Holgraphic recording and reading method and holographic recording and reading apparatus Fujifilm Corporation (JP) 2009-04-22 — — EP disclosed
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