SCHEMBL7828102

SCHEMBL7828102

C=C(C)c1c(OC)ccc2cc(OCc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.40
NMBR P28336 1/20 0.34
ALOX5AP P20292 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 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
SCHEMBL7818117 0.82 SIRT2 (0.44) SIRT2
SCHEMBL5751606 0.78 SIRT2 (0.35) SIRT2
SCHEMBL5748437 0.78 SIRT2 (0.36) SIRT2
SCHEMBL7831405 0.78 SIRT2 (0.35) SIRT2NMBRALOX5AP
SCHEMBL7844409 0.77 ALOX5 (0.52) SIRT2
SCHEMBL7597443 0.74 MAOA (0.39) SIRT2
SCHEMBL7594682 0.74 SIRT2 (0.41) SIRT2ALOX5AP
SCHEMBL6674214 0.71 KCNH2 (0.46) SIRT2CYSLTR2CYSLTR1
SCHEMBL4855420 0.71 SIRT2 (0.48) SIRT2
SCHEMBL14289994 0.69 SIRT2 (0.46) SIRT2NMBR

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
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 WO disclosed