SCHEMBL5313199

SCHEMBL5313199

O=C(NC1CC1)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)nc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.52
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
USP30 Q70CQ3 2/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRA5 P31644 1/20 0.42
HDAC4 P56524 1/20 0.42
MAPK14 Q16539 3/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42

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
SCHEMBL5307724 0.87 USP30 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5314711 0.86 HDAC6 (0.47) HPGDSGABRA5HDAC4MAPK14MAPK11
SCHEMBL5312258 0.80 SCD (0.47) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5312220 0.75 SCD (0.47) USP30MAPK14HDAC6
SCHEMBL5313203 0.74 CNR2 (0.53) CNR2
SCHEMBL5313123 0.74 CNR1 (0.45) USP30NPC1RAB9AMAPK14CNR2
SCHEMBL5313162 0.74 CNR2 (0.48) CNR2
SCHEMBL1819622 0.73 LMNA (0.62) NPC1RAB9APTGESHCRTR1
SCHEMBL30681561 0.73 LMNA (0.62) NPC1RAB9APTGESHCRTR1
SCHEMBL1543340 0.72 HPGDS (0.74) HPGDSUSP30GABRA5MAPK14MAPK11

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-2007044085-A2 HETEROARYL COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-19 WO disclosed