SCHEMBL4301816

SCHEMBL4301816

C=C(C)C(=O)Nc1cc(O)ccc1N=Nc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.50
▸ MEN1 O00255 8/20 0.50
▸ KMT2A Q03164 8/20 0.50
▸ THRB P10828 1/20 0.45
▸ NPC1 O15118 8/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ L3MBTL1 Q9Y468 5/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ LMNA P02545 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ HTT P42858 5/20 0.40

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
SCHEMBL4293437 0.88 MAPT (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4292105 0.78 THRB (0.43) MAPTMEN1KMT2ATHRBNPC1
SCHEMBL27510137 0.73 MAPT (0.57) MAPTMEN1KMT2ATHRBNPC1
SCHEMBL4000024 0.72 CHRM1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14690050 0.72 MAPT (0.51) MAPTMEN1KMT2ATHRBNPC1
SCHEMBL14354726 0.71 KCNMA1 (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13609820 0.70 AHR (0.58) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6725926 0.70 MAPT (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL22200960 0.70 POLB (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9450739 0.70 NPC1 (0.48) MAPTNPC1RAB9AL3MBTL1HPGD

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-20090247662-A1 Contact Lens Material MATSUMOTO MASAHIRO 2009-10-01 — — US disclosed
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