SCHEMBL16465950

SCHEMBL16465950

NC(=O)c1ncc(Cl)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.51
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
PTPN1 P18031 1/20 0.36
MAP2 P11137 1/20 0.36
LMNA P02545 2/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
NNMT P40261 1/20 0.34
MCL1 Q07820 1/20 0.34
MAP4K4 O95819 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAP2K1 Q02750 1/20 0.33
PARP1 P09874 1/20 0.33
SPR P35270 1/20 0.33

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
SCHEMBL16634631 0.82 PLAU (0.44) PLAUPTPN1LMNAMCL1HCAR2
SCHEMBL30143410 0.80 PLAU (0.48) PLAUMKNK1MKNK2SIRT6MAP2
SCHEMBL2760820 0.80 PLAU (0.48) PLAUMKNK1MKNK2SIRT6MAP2
SCHEMBL3924687 0.78 MKNK1 (0.42) PLAUMKNK1MKNK2SIRT6MAP2
SCHEMBL22854468 0.77 MAP2K1 (0.37) HCAR2MAP2K1PARP1SPR
SCHEMBL6302474 0.77 NNMT (0.42) PLAUMAP2NNMT
SCHEMBL7910786 0.77 BACE1 (0.39) PLAUMKNK1MKNK2SIRT6MAP2
SCHEMBL31006673 0.77 PTPN1 (0.49) PLAUPTPN1LMNAL3MBTL1
SCHEMBL16634805 0.77 PTPN1 (0.49) PLAUPTPN1LMNAL3MBTL1
SCHEMBL22610076 0.77 ALDH1A1 (0.40) PLAUPTPN1

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
WO-2014059185-A1 AMINO - DIHYDROTHIAZINE AND AMINO - DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2014-04-17 WO disclosed