SCHEMBL2122808

SCHEMBL2122808

CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5c(Br)c(Br)c(C(=O)Nc6c(C(C)C)cccc6C(C)C)c1c25)c43

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NLRP3 Q96P20 2/20 0.34
▸ RIPK1 Q13546 2/20 0.33
▸ SOAT2 O75908 1/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ POLB P06746 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
SCHEMBL7168499 0.87 KMT2A (0.56) KMT2ALMNASMN1; SMN2RIPK1SOAT2
SCHEMBL29824483 0.87 KMT2A (0.56) KMT2ALMNASMN1; SMN2RIPK1SOAT2
SCHEMBL1566952 0.84 KMT2A (0.48) KMT2ALMNASMN1; SMN2NLRP3RIPK1
SCHEMBL1566662 0.84 KMT2A (0.48) KMT2ALMNASMN1; SMN2NLRP3RIPK1
SCHEMBL6289916 0.82 KMT2A (0.46) KMT2ALMNASMN1; SMN2NLRP3RIPK1
SCHEMBL1568158 0.77 KMT2A (0.50) KMT2ALMNASMN1; SMN2NLRP3RIPK1
SCHEMBL8654771 0.76 KMT2A (0.51) KMT2ALMNASMN1; SMN2NLRP3RIPK1
SCHEMBL6432693 0.76 LMNA (0.37) KMT2ALMNASMN1; SMN2NLRP3SOAT2
SCHEMBL11061926 0.75 KMT2A (0.45) KMT2ALMNASMN1; SMN2NLRP3RIPK1
SCHEMBL6597515 0.75 POLB (0.56) KMT2ALMNASMN1; SMN2NLRP3RIPK1

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-2448033-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Sumitomo Chemical Company, Limited (JP) 2012-05-02 — — EP disclosed
US-20120091449-A1 ORGANIC ELECTROLUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 — — US disclosed
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