SCHEMBL3943074

SCHEMBL3943074

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2cccc(F)c2)C(c2ccc3[nH]cnc3c2)N1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 3/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.49
PKM P14618 4/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL3950805 0.91 HTT (0.48) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3943301 0.90 HTT (0.47) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3949251 0.89 HTT (0.55) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3944398 0.88 HTT (0.60) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3951616 0.87 HTT (0.60) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3949407 0.87 HTT (0.69) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3947960 0.87 PKM (0.47) KMT2ALMNATSHRMEN1PKM
SCHEMBL3946876 0.86 HTT (0.66) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3949567 0.85 HTT (0.59) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3950996 0.84 PKM (0.63) HTTSMN1; SMN2KMT2ALMNATSHR

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