SCHEMBL11629876

SCHEMBL11629876

CC1=CC(=Nc2ccc(N(CCO)CCO)cc2)C(C)=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.43
▸ MAPT P10636 7/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ MEN1 O00255 5/20 0.35
▸ GAA P10253 5/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PLK1 P53350 1/20 0.34
▸ PLK2 Q9NYY3 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL11626864 0.88 PABPC1 (0.41) PABPC1MAPTKMT2ARAB9ANPC1
SCHEMBL13808911 0.85 PABPC1 (0.39) PABPC1MAPTKMT2ARAB9ANPC1
SCHEMBL4003863 0.85 PABPC1 (0.39) PABPC1MAPTKMT2ARAB9ANPC1
SCHEMBL11410978 0.83 PABPC1 (0.37) PABPC1MAPTKMT2ARAB9ANPC1
SCHEMBL11721046 0.82 PABPC1 (0.39) PABPC1MAPTKMT2ARAB9ANPC1
SCHEMBL11623938 0.82 PABPC1 (0.36) PABPC1MAPTKMT2ARAB9ANPC1
SCHEMBL13525200 0.80 PABPC1 (0.41) PABPC1MAPTKMT2ARAB9ANPC1
SCHEMBL13808907 0.80 KMT2A (0.39) PABPC1MAPTKMT2ARAB9ANPC1
SCHEMBL11309468 0.79 PABPC1 (0.67) PABPC1MAPTKMT2ARAB9ANPC1
SCHEMBL12052167 0.77 PABPC1 (0.36) PABPC1MAPTKMT2ARAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4093806-A HAIR DYES L'OREAL (FR) 1978-06-06 — — US disclosed
US-4046786-A HAIR DYES L'OREAL (FR) 1977-09-06 — — US disclosed
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