SCHEMBL3943049

SCHEMBL3943049

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2cccc(F)c2)C(c2c[nH]c3cnccc23)N1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 4/20 0.43
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ALOX15 P16050 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL13942067 0.92 HTT (0.46) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3945208 0.90 HTT (0.44) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3944803 0.88 HTT (0.48) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3946162 0.87 PKM (0.41) HTTPKMMAPTGAA
SCHEMBL3949567 0.86 HTT (0.59) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3944398 0.83 HTT (0.60) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3949407 0.82 HTT (0.69) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3946876 0.82 HTT (0.66) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3951616 0.81 HTT (0.60) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3949251 0.80 HTT (0.55) HTTSMN1; SMN2KMT2ALMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed