SCHEMBL13374166

SCHEMBL13374166

NC(=O)c1ccc([C@H]2CCCCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
HPGD P15428 1/20 0.49
PARP10 Q53GL7 5/20 0.43
PARP15 Q460N3 4/20 0.43
PRKAG1 P54619 5/20 0.42
PRKAA1 Q13131 5/20 0.42
PRKAB1 Q9Y478 5/20 0.42
PRKAA2 P54646 4/20 0.42
PRKAB2 O43741 3/20 0.42
PRKAG3 Q9UGI9 3/20 0.42
PRKAG2 Q9UGJ0 3/20 0.42
PARP1 P09874 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PARP2 Q9UGN5 2/20 0.40
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL730751 0.85 PRKAG1 (0.48) HPGDPRKAG1PRKAA1PRKAB1PRKAA2
SCHEMBL7189606 0.81 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL14966664 0.79 PRKAG1 (0.47) HPGDPRKAG1PRKAA1PRKAB1PRKAA2
SCHEMBL18394292 0.78 KMT2A (0.54) HPGDPRKAG1PRKAA1PRKAB1PRKAA2
SCHEMBL27656111 0.77 KCNH2 (0.46) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL14300774 0.77 KCNH2 (0.41) HPGDPRKAG1PRKAA1PRKAB1PRKAA2
SCHEMBL6439299 0.76 RAB9A (0.55) CYP2C9HPGD
SCHEMBL19662088 0.75 KCNH2 (0.50) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL17963141 0.74 HDAC8 (0.61) CYP2C9PARP10PARP15PARP2
SCHEMBL20684259 0.74 HPGD (0.40) CYP2C9HPGDPARP1TSHR

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-8288383-B2 3-methyl-2- ( (2S) -2- (4- (3-methyl-L, 2, 4-oxadiazol-5-YL) phenyl) morpholino) -6- (pyrim-idin-4-yl) pyrimidin-4 (3H) -one as tau protein kinase inhibitor SANOFI (FR) 2012-10-16 US disclosed