SCHEMBL3949567

SCHEMBL3949567

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2cccc(F)c2)C(c2ccncc2)N1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.59
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
MEN1 O00255 3/20 0.59
TSHR P16473 2/20 0.59
ALDH1A1 P00352 2/20 0.56
PKM P14618 3/20 0.53
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3946876 0.93 HTT (0.66) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3949407 0.93 HTT (0.69) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3944398 0.92 HTT (0.60) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3941580 0.90 HTT (0.60) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3945900 0.90 HTT (0.54) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3951616 0.89 HTT (0.60) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3949251 0.88 HTT (0.55) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL13942349 0.88 HTT (0.54) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3945223 0.88 HTT (0.59) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3941565 0.88 HTT (0.57) HTTKMT2ASMN1; SMN2LMNAMEN1

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