SCHEMBL6025482

SCHEMBL6025482

CC1(C)C[C@H](NC(=S)Nc2cccc(C#N)c2)c2cc(Cl)ccc2O1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.61
SIRT1 Q96EB6 3/20 0.58
TRPV1 Q8NER1 7/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
IDO1 P14902 1/20 0.43
ABCC9 O60706 3/20 0.41
P2RX1 P51575 1/20 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
SCHEMBL6025164 1.00 SIRT2 (0.61) SIRT2SIRT1TRPV1ALDH1A1MAPT
SCHEMBL6024957 0.90 SIRT2 (0.62) SIRT2SIRT1TRPV1ALDH1A1MAPT
SCHEMBL6024372 0.78 TRPV1 (0.50) SIRT2SIRT1TRPV1
SCHEMBL9529658 0.75 SIRT2 (0.52) SIRT2SIRT1ABCC9
SCHEMBL9272118 0.73 SIRT2 (0.72) SIRT2SIRT1TRPV1
SCHEMBL31371256 0.73 SIRT2 (1.00) SIRT2SIRT1TRPV1
SCHEMBL6027651 0.71 SIRT2 (0.47) SIRT2SIRT1TRPV1
SCHEMBL4257277 0.71 CNR1 (0.54) SIRT2SIRT1TRPV1
SCHEMBL9690460 0.71 SIRT2 (0.54) SIRT2SIRT1TRPV1ABCC9
SCHEMBL9690471 0.71 SIRT2 (0.54) SIRT2SIRT1TRPV1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716141-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF Université de Liège (BE) 2006-11-02 EP claimed
WO-2005075463-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF UNIVERSITE DE LIEGE (BE) 2005-08-18 WO claimed
EP-1716141-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF Université de Liège (BE) 2006-11-02 EP disclosed
WO-2005075463-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF UNIVERSITE DE LIEGE (BE) 2005-08-18 WO disclosed