SCHEMBL27697237

SCHEMBL27697237

CC(C)(C)OC(=O)NCCc1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KCNE1 P15382 1/20 0.45
CCR1 P32246 1/20 0.45
KCNQ1 P51787 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
GNRHR P30968 1/20 0.42
GRM2 Q14416 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL27697238 0.82 KCNE1 (0.43) L3MBTL1NPSR1MEN1KMT2ALMNA
SCHEMBL5114801 0.82 LMNA (0.47) L3MBTL1KMT2ALMNAALDH1A1HTT
SCHEMBL5127445 0.81 NPC1 (0.53) L3MBTL1MEN1KMT2ALMNAPOLB
SCHEMBL5129218 0.81 HPGD (0.49) L3MBTL1LMNAKCNE1CCR1KCNQ1
SCHEMBL5128003 0.80 ALDH1A1 (0.50) L3MBTL1NPSR1MEN1KMT2ALMNA
SCHEMBL2205787 0.80 HDAC3 (0.41) L3MBTL1NPSR1MEN1KMT2ALMNA
SCHEMBL6649273 0.80 L3MBTL1 (0.44) L3MBTL1NPSR1MEN1KMT2ALMNA
SCHEMBL14609911 0.79 ERCC1 (0.48) L3MBTL1KMT2ALMNAKCNE1CCR1
SCHEMBL5117167 0.78 LMNA (0.49) L3MBTL1KMT2ALMNAALDH1A1ERCC1
SCHEMBL6645731 0.78 KCNE1 (0.45) NPSR1MEN1KMT2ALMNATSHR

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
CN-101146811-B Hiv integrase inhibitors INST DI RICERCHI DI BIOLOG MOLECOLARE P ANGELETTI S P A 2012-01-11 CN disclosed
CN-101146811-A HIV integrase inhibitors ISTITUTO DE RICERCHE DI BIOLOG (IT) 2008-03-19 CN disclosed