SCHEMBL18554248

SCHEMBL18554248

COc1ccc2c(C(C)=O)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
DYRK1A Q13627 1/20 0.56
PRKAG1 P54619 3/20 0.51
PRKAA1 Q13131 3/20 0.51
PRKAB1 Q9Y478 3/20 0.51
PRKAB2 O43741 2/20 0.50
PRKAA2 P54646 2/20 0.50
PRKAG3 Q9UGI9 2/20 0.50
PRKAG2 Q9UGJ0 2/20 0.50
FLT3 P36888 2/20 0.49
CDK2 P24941 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL176882 0.88 PRKAG1 (0.66) BCHEACHEDYRK1APRKAG1PRKAA1
SCHEMBL17324787 0.88 PRKAG1 (0.62) BCHEACHEDYRK1APRKAG1PRKAA1
SCHEMBL13069602 0.86 JAK2 (0.51) BCHEACHEDYRK1APRKAG1PRKAA1
SCHEMBL16516393 0.86 KDM4E (0.63) BCHEACHEDYRK1APRKAG1PRKAA1
SCHEMBL12583303 0.84 YTHDC1 (0.60) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL4012655 0.84 PRKAG1 (0.48) BCHEACHEDYRK1APRKAG1PRKAA1
SCHEMBL3953836 0.84 FLT3 (0.49) BCHEACHEDYRK1APRKAG1PRKAA1
SCHEMBL3953831 0.82 PRKAG1 (0.47) BCHEACHEDYRK1APRKAG1PRKAA1
SCHEMBL492550 0.81 KDM4E (0.64) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL10073863 0.81 CYP1A2 (0.50) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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-2017035411-A1 ETHER COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed