SCHEMBL3944723

SCHEMBL3944723

N#Cc1cccc(COC(=O)C2=C(CCc3ccccc3C#N)NC(=O)NC2c2ccc3c(c2)NC(=O)CO3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 4/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 4/20 0.39
ALOX15 P16050 1/20 0.39
PKM P14618 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 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
SCHEMBL13942589 0.92 TSHR (0.45) SMN1; SMN2HTTALDH1A1TSHRPKM
SCHEMBL3942061 0.92 TSHR (0.45) SMN1; SMN2HTTALDH1A1TSHRPKM
SCHEMBL3950666 0.91 LMNA (0.44) SMN1; SMN2HTTALDH1A1TSHRPKM
SCHEMBL3941659 0.89 HTT (0.49) SMN1; SMN2HTTALDH1A1TSHRPKM
SCHEMBL3950731 0.88 PKM (0.38) SMN1; SMN2HTTALDH1A1TSHRPKM
SCHEMBL3947163 0.86 LMNA (0.40) HTTTSHRLMNAKMT2AMEN1
SCHEMBL3942854 0.84 PKM (0.55) SMN1; SMN2HTTALDH1A1TSHRPKM
SCHEMBL4101784 0.84 LMNA (0.45) SMN1; SMN2HTTALDH1A1TSHRPKM
SCHEMBL3940676 0.84 HTT (0.40) SMN1; SMN2HTTALDH1A1TSHRPKM
SCHEMBL3950817 0.81 TSHR (0.39) SMN1; SMN2HTTALDH1A1TSHRPKM

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