SCHEMBL5032736

SCHEMBL5032736

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCP(=O)(O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NOD1 Q9Y239 2/20 0.36
TNF P01375 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
NOD2 Q9HC29 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4583837 0.92 L3MBTL1 (0.38) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5539051 0.92 CNR2 (0.42) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL4583844 0.91 L3MBTL1 (0.38) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5540948 0.90 L3MBTL1 (0.39) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5545334 0.90 L3MBTL1 (0.42) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5128863 0.89 L3MBTL1 (0.40) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5132965 0.89 L3MBTL1 (0.40) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL15163546 0.88 L3MBTL1 (0.42) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5540820 0.88 L3MBTL1 (0.41) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5545426 0.86 L3MBTL1 (0.42) CNR2L3MBTL1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910355-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP claimed
WO-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO claimed
EP-1910355-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed