SCHEMBL3949873

SCHEMBL3949873

COc1ccc(CCC2=C(C(=O)OCc3ccccc3)C(c3ccccc3)NC(=O)N2)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
RXFP1 Q9HBX9 1/20 0.60

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
SCHEMBL3942341 0.98 MEN1 (0.65) MEN1KMT2ARXFP1
SCHEMBL3950017 0.94 ALDH1A1 (0.62) MEN1KMT2ARXFP1
SCHEMBL3946511 0.94 MEN1 (0.61) MEN1KMT2ARXFP1
SCHEMBL3943267 0.93 RXFP1 (0.71) MEN1KMT2ARXFP1
SCHEMBL3950733 0.93 PKM (0.55)
SCHEMBL3947606 0.93 RXFP1 (0.71) MEN1KMT2ARXFP1
SCHEMBL3950756 0.91 MEN1 (0.55) MEN1KMT2A
SCHEMBL16458516 0.91 RXFP1 (0.61) RXFP1
SCHEMBL3950845 0.90 MEN1 (0.58) MEN1KMT2ARXFP1
SCHEMBL13942736 0.90 MEN1 (0.57) MEN1KMT2A

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed