SCHEMBL7991773

SCHEMBL7991773

O=C(O)c1nc(-c2ccc(N3CCOCC3)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAP2 P11137 1/20 0.47
PIN1 Q13526 2/20 0.46
AKR1C3 P42330 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL7991843 0.91 AURKA (0.45) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7991959 0.90 SMN1; SMN2 (0.44) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7989662 0.89 LMNA (0.45) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7991747 0.88 PARP1 (0.53) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7978156 0.87 AKR1C3 (0.47) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7988137 0.87 PRKAB2 (0.52) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7989957 0.85 USP2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7988555 0.85 PARP1 (0.54) PARP1SMN1; SMN2PIN1AKR1C3KMT2A
SCHEMBL7991757 0.85 DGAT1 (0.42) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7977895 0.84 SIRT2 (0.61) PARP1MAPTMAP2SIRT2SIRT1

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