SCHEMBL3943539

SCHEMBL3943539

COc1ccc(C2NC(=O)NC(CCc3ccccc3Cl)=C2C(=O)OCc2ccccc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
TSHR P16473 3/20 0.54
BLM P54132 1/20 0.54
PKM P14618 1/20 0.50
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL3951595 0.89 GAA (0.54) GAATSHRBLMPKMHTT
SCHEMBL3943138 0.86 RXFP1 (0.55) MEN1KMT2A
SCHEMBL13942605 0.86 TSHR (0.52) TSHRPKMHTTMEN1KMT2A
SCHEMBL3942883 0.86 TSHR (0.55) GAATSHRBLMPKMHTT
SCHEMBL3942576 0.86 PKM (0.52) PKM
SCHEMBL3950394 0.85 MEN1 (0.56) TSHRPKMHTTMEN1KMT2A
SCHEMBL3947142 0.85 MEN1 (0.53) TSHRPKMMEN1KMT2ATP53
SCHEMBL3944408 0.83 TSHR (0.49) GAATSHRBLMPKMHTT
SCHEMBL13942611 0.83 MEN1 (0.51) TSHRMEN1KMT2ATP53
SCHEMBL3944971 0.83 MEN1 (0.48) GAATSHRBLMHTTMEN1

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