SCHEMBL16477284

SCHEMBL16477284

CC(C)[C@]1(c2ccc(Cl)cc2)CC12C(=O)N(c1cc(C(=O)O)cc(N3CCOC3=O)c1)c1ccccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.63
PRKAA1 Q13131 2/20 0.63
PRKAB1 Q9Y478 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
SCN9A Q15858 3/20 0.33
CNR1 P21554 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.31
IDH1 O75874 2/20 0.31
BCL2 P10415 1/20 0.31
POLB P06746 1/20 0.31
CMA1 P23946 1/20 0.30
IP6K1 Q92551 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1974056 1.00 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1SMN1; SMN2TP53
SCHEMBL1973983 1.00 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1SMN1; SMN2TP53
SCHEMBL1973985 1.00 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1SMN1; SMN2TP53
SCHEMBL12580518 0.93 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1BCL2
SCHEMBL12580514 0.93 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1BCL2
SCHEMBL1974484 0.90 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1SMN1; SMN2IDH1
SCHEMBL1973761 0.90 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1
SCHEMBL1977138 0.90 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1SMN1; SMN2IDH1
SCHEMBL1973760 0.90 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1
SCHEMBL1977870 0.90 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1SMN1; SMN2IDH1

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
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed