SCHEMBL27697238

SCHEMBL27697238

CC(C)(C)NC(=O)OCCc1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.43
CCR1 P32246 1/20 0.43
KCNQ1 P51787 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL27697237 0.82 L3MBTL1 (0.47) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL6649050 0.80 LMNA (0.43) KMT2ALMNAALDH1A1ERCC1FEN1
SCHEMBL5129218 0.79 HPGD (0.49) KCNE1CCR1KCNQ1LMNAALDH1A1
SCHEMBL5128003 0.79 ALDH1A1 (0.50) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL13077721 0.78 FAAH (0.44) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL14609911 0.77 ERCC1 (0.48) KCNE1CCR1KCNQ1KMT2ALMNA
SCHEMBL5117167 0.77 LMNA (0.49) KMT2ALMNAALDH1A1ERCC1FEN1
SCHEMBL6645731 0.77 KCNE1 (0.45) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL5113424 0.77 ERCC1 (0.46) KCNE1CCR1KCNQ1LMNAALDH1A1
SCHEMBL5127309 0.77 ERCC1 (0.46) KCNE1CCR1KCNQ1KMT2ALMNA

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