SCHEMBL14048367

SCHEMBL14048367

CC1(I)OCCn2c1nc(C(=O)NCc1ccc(F)cc1I)c(OCc1ccccc1)c2=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNA5 P22460 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PDE5A O76074 2/20 0.32
P2RX7 Q99572 2/20 0.32
KCNK3 O14649 1/20 0.31
RIPK1 Q13546 1/20 0.31
GRM5 P41594 1/20 0.31
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31

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
SCHEMBL4036817 0.93 MEN1 (0.34) MEN1KMT2AKCNA5SMN1; SMN2L3MBTL1
SCHEMBL4039718 0.86 MEN1 (0.35) MEN1KMT2AKCNA5SMN1; SMN2L3MBTL1
SCHEMBL4036499 0.85 MEN1 (0.34) MEN1KMT2AKCNA5SMN1; SMN2L3MBTL1
SCHEMBL14511038 0.85 L3MBTL1 (0.36) MEN1KMT2AKCNA5SMN1; SMN2L3MBTL1
SCHEMBL4041319 0.84 L3MBTL1 (0.35) MEN1KMT2AKCNA5L3MBTL1LMNA
SCHEMBL13930036 0.84 PDE5A (0.35) MEN1KMT2AKCNA5SMN1; SMN2L3MBTL1
SCHEMBL5532226 0.84 MEN1 (0.34) MEN1KMT2AKCNA5SMN1; SMN2L3MBTL1
SCHEMBL4036175 0.84 MAPT (0.35) MEN1KMT2AKCNA5L3MBTL1LMNA
SCHEMBL4036395 0.84 DRD2 (0.39) MEN1KMT2AKCNA5L3MBTL1LMNA
SCHEMBL13948817 0.83 PLA2G1B (0.34) MEN1KMT2AKCNA5L3MBTL1LMNA

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
EP-1749011-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-29 EP disclosed