SCHEMBL3943138

SCHEMBL3943138

COc1ccc(C2NC(=O)NC(CCc3ccccc3Cl)=C2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL3950394 0.92 MEN1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL3947142 0.92 MEN1 (0.53) MEN1KMT2AALDH1A1
SCHEMBL3942576 0.90 PKM (0.52)
SCHEMBL13942611 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1
SCHEMBL13942605 0.89 TSHR (0.52) RXFP1MEN1KMT2AALDH1A1
SCHEMBL3946511 0.89 MEN1 (0.61) RXFP1MEN1KMT2A
SCHEMBL3942341 0.89 MEN1 (0.65) RXFP1MEN1KMT2A
SCHEMBL3944971 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL3949873 0.87 MEN1 (0.62) RXFP1MEN1KMT2A
SCHEMBL3943539 0.86 GAA (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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