SCHEMBL3944986

SCHEMBL3944986

N#Cc1cccc(COC(=O)C2=C(CCc3ccccc3Cl)NC(=O)NC2c2ccc3c(c2)CCO3)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
GRM5 P41594 1/20 0.39
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL3944825 0.92 TSHR (0.52) TSHRMAPK1TP53HTTSMN1; SMN2
SCHEMBL3944799 0.90 LMNA (0.47) TSHRMAPK1TP53HTTSMN1; SMN2
SCHEMBL3952786 0.90 TSHR (0.57) TSHRMAPK1TP53HTTSMN1; SMN2
SCHEMBL3945238 0.88 LMNA (0.50) TSHRMAPK1TP53HTTSMN1; SMN2
SCHEMBL3942061 0.86 TSHR (0.45) TSHRMAPK1TP53HTTSMN1; SMN2
SCHEMBL13942056 0.86 TSHR (0.40) TSHRMAPK1TP53HTTSMN1; SMN2
SCHEMBL13942589 0.86 TSHR (0.45) TSHRMAPK1TP53HTTSMN1; SMN2
SCHEMBL13942752 0.86 TSHR (0.41) TSHRMAPK1TP53HTTSMN1; SMN2
SCHEMBL3941820 0.83 TSHR (0.41) TSHRMAPK1TP53HTTSMN1; SMN2
SCHEMBL13942054 0.82 TSHR (0.40) TSHRMAPK1TP53HTTSMN1; SMN2

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