SCHEMBL30443279

SCHEMBL30443279

O=C(O)c1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.61
GSK3B P49841 2/20 0.52
PRKAB2 O43741 14/20 0.51
PRKAG1 P54619 14/20 0.51
PRKAA2 P54646 14/20 0.51
PRKAA1 Q13131 14/20 0.51
PRKAG3 Q9UGI9 14/20 0.51
PRKAG2 Q9UGJ0 14/20 0.51
PRKAB1 Q9Y478 14/20 0.51
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46

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
SCHEMBL7379535 1.00 MAP2K4 (0.61) MAP2K4GSK3BPRKAB2PRKAG1PRKAA2
SCHEMBL570293 0.86 PRKAG1 (0.55) MAP2K4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17423733 0.85 MAP2K4 (0.52) MAP2K4GSK3BPRKAB2PRKAG1PRKAA2
SCHEMBL15540985 0.85 MAP2K4 (0.52) MAP2K4GSK3BPRKAB2PRKAG1PRKAA2
SCHEMBL4791992 0.81 MAP2K4 (0.65) MAP2K4GSK3BKDM4EMEN1LMNA
SCHEMBL30609861 0.81 MAP2K4 (0.65) MAP2K4GSK3BKDM4EMEN1LMNA
SCHEMBL17423779 0.81 GSK3B (0.49) MAP2K4GSK3BPRKAB2PRKAG1PRKAA2
SCHEMBL12879075 0.81 PRKAG1 (0.46) MAP2K4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL176936 0.81 PRKAG1 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11170521 0.80 ROCK1 (0.46) MAP2K4PRKAB2PRKAG1PRKAA2PRKAA1

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-2023085785-A1 ISOINDOLINONE DERIVATIVE HAVING GLUTARIMIDE MOTHER NUCLEUS, AND USE THEREOF 한국화학연구원 2023-05-19 WO disclosed