SCHEMBL7991890

SCHEMBL7991890

O=C(O)c1nc(-c2ccc(CO)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.48
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
CHEK2 O96017 5/20 0.46
PARP1 P09874 1/20 0.44
MAPK14 Q16539 4/20 0.43
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
GCGR P47871 3/20 0.43
PIN1 Q13526 3/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7989686 0.85 PARP1 (0.48) CHEK2PARP1MAPK14MAPK13MAPK12
SCHEMBL7989925 0.83 MAPK14 (0.62) BRAFCHEK2MAPK14MAPK13MAPK12
SCHEMBL7990026 0.83 GCGR (0.44) CHEK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7989973 0.83 GCGR (0.43) CHEK2GCGRPIN1
SCHEMBL7991539 0.82 SIRT2 (0.41) BRAFCHEK2PARP1MAPK14MAPK13
SCHEMBL7988519 0.81 GCGR (0.43) CHEK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7995390 0.80 MAPK14 (0.48) CHEK2PARP1MAPK14MAPK13MAPK12
SCHEMBL7995219 0.80 RHEB (0.48) CHEK2PARP1MAPK14MAPK13MAPK12
SCHEMBL7988555 0.80 PARP1 (0.54) PARP1PIN1MAPK1
SCHEMBL7977709 0.79 DHODH (0.58) CHEK2

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed