SCHEMBL6748636

SCHEMBL6748636

Cc1cc(C(N)=O)c(C(N)=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NNMT P40261 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.40
BRD4 O60885 1/20 0.39
PARP1 P09874 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
CDC7 O00311 1/20 0.37
PIM3 Q86V86 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
SCHEMBL4638397 0.89 NNMT (0.47) SIRT3TDP1NNMTL3MBTL1POLB
SCHEMBL7083041 0.88 NNMT (0.50) SIRT3TDP1NNMTL3MBTL1POLB
SCHEMBL31413282 0.85 MAPK1 (0.46) SIRT3TDP1NNMTL3MBTL1POLB
SCHEMBL5951698 0.85 MAPK1 (0.46) SIRT3TDP1NNMTL3MBTL1POLB
SCHEMBL20652496 0.83 DGAT1 (0.48) SIRT3TDP1NNMTL3MBTL1POLB
SCHEMBL20194580 0.83 CA12 (0.50) SIRT3TDP1NNMTL3MBTL1POLB
SCHEMBL2222259 0.83 SIRT3 (0.39) SIRT3TDP1NNMTL3MBTL1POLB
SCHEMBL1222250 0.81 ALDH1A1 (0.46) SIRT3TDP1L3MBTL1POLBPARP1
SCHEMBL34471843 0.80 NNMT (0.48) SIRT3TDP1NNMTL3MBTL1POLB
SCHEMBL1005550 0.79 TDP1 (0.41) SIRT3TDP1NNMTL3MBTL1POLB

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
EP-1092729-B1 POLYMERIZATION CATALYST, NOVEL TRANSITION METAL COMPOUND, AND POLYMERIZATION METHOD AND COPOLYMER USING THEM MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
CN-1203096-C Polymerization catalyst for unsaturated monomer, novel transition metal compound, polymerization method using the same, and copolymer MITSUI CHEMICALS INC (JP) 2005-05-25 CN disclosed
US-6703459-B1 ORGANIC TRANSITION METAL COMPLEXES HAVING SPECIFIC STRUCTURE, WHICH CAN FORM COPOLYMERS HAVING LINKAGE FORMED BY MIGRATION OF ACTIVE HYDROGEN OF UNSATURATED MONOMER MITSUI CHEMICALS, INC. (JP) 2004-03-09 US disclosed
CN-1300297-A Polymerization catalyst for unsaturated monomer, novel transition metal compound, polymerization method using the same, and copolymer MITSUI CHEMICALS INC (JP) 2001-06-20 CN disclosed
EP-1092729-A1 POLYMERIZATION CATALYST, NOVEL TRANSITION METAL COMPOUND, AND POLYMERIZATION METHOD AND COPOLYMER USING THEM Mitsui Chemicals, Inc. (JP) 2001-04-18 EP disclosed