SCHEMBL3950817

SCHEMBL3950817

N#Cc1cccc(COC(=O)C2=C(CCc3ccccc3Cl)NC(=O)NC2c2cc(F)c3c(c2)NC(=O)CO3)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 2/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
ADORA2B P29275 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL13942589 0.89 TSHR (0.45) TSHRTP53MAPK1PKMHTT
SCHEMBL3942061 0.89 TSHR (0.45) TSHRTP53MAPK1PKMHTT
SCHEMBL3941820 0.83 TSHR (0.41) TSHRTP53MAPK1PKMHTT
SCHEMBL13942752 0.83 TSHR (0.41) TSHRTP53MAPK1PKMHTT
SCHEMBL3952786 0.82 TSHR (0.57) TSHRTP53MAPK1PKMHTT
SCHEMBL13942754 0.82 TSHR (0.39) TSHRTP53MAPK1PKMHTT
SCHEMBL3944825 0.82 TSHR (0.52) TSHRTP53MAPK1PKMHTT
SCHEMBL3944723 0.81 SMN1; SMN2 (0.40) TSHRTP53MAPK1PKMHTT
SCHEMBL3944986 0.80 TSHR (0.46) TSHRTP53MAPK1PKMHTT
SCHEMBL3950666 0.80 LMNA (0.44) TSHRTP53MAPK1PKMHTT

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