SCHEMBL6590788

SCHEMBL6590788

NC(=O)c1cccc(-c2ccc(Cl)cc2)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.52
CHUK O15111 3/20 0.52
BCAT2 O15382 1/20 0.50
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PARP1 P09874 4/20 0.48
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.42
MAP4K4 O95819 1/20 0.42
PARP2 Q9UGN5 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL1512152 0.91 BCAT2 (0.59) IKBKBCHUKBCAT2PARP1FGFR1
SCHEMBL29184001 0.86 G6PD (0.50) IKBKBCHUKBCAT2SLC6A4SLC6A3
SCHEMBL3791160 0.86 BCAT2 (0.53) IKBKBCHUKBCAT2PARP1FGFR1
SCHEMBL197002 0.84 BCAT2 (0.71) IKBKBCHUKBCAT2SLC6A4SLC6A3
SCHEMBL3433069 0.84 BCAT2 (0.71) IKBKBCHUKBCAT2PARP1KEAP1
SCHEMBL28282551 0.83 BCAT2 (0.50) IKBKBCHUKBCAT2PARP1FGFR1
SCHEMBL28270443 0.82 BCAT2 (0.69) IKBKBCHUKBCAT2SLC6A4SLC6A3
SCHEMBL7143118 0.79 CHUK (0.61) IKBKBCHUKBCAT2PARP1CASP1
SCHEMBL30903677 0.79 IKBKB (0.64) IKBKBCHUKBCAT2PTGS1PTGS2
SCHEMBL1512155 0.77 BCAT2 (0.55) IKBKBCHUKBCAT2PARP1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1143855-C I (ortho)-anthranilamide derivatives as anti-coagulants ���ֹɷݹ�˾ 2004-03-31 CN disclosed
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
CN-1282329-A I (ortho)-anthranilamide derivatives as anti-coagulants SCHERING AG (DE) 2001-01-31 CN disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US disclosed