SCHEMBL17844243

SCHEMBL17844243

Cc1cc(CN2CCC(Nc3c(-c4ccccc4)sn(C(C)(C)C)c3=O)CC2)no1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.43
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
GABRA5 P31644 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
ACHE P22303 4/20 0.37
BCHE P06276 1/20 0.37
STAT3 P40763 1/20 0.35
IL4I1 Q96RQ9 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GABRA1 P14867 1/20 0.34
FEN1 P39748 1/20 0.34
ENPP2 Q13822 1/20 0.33

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
SCHEMBL17844249 0.84 ACHE (0.50) MAPTACHEBCHE
SCHEMBL17844206 0.80 NPC1 (0.41) GRIN1GRIN2BGABRA5MAPTRECQL
SCHEMBL17844171 0.79 MALT1 (0.47) ACHEBCHE
SCHEMBL17844164 0.78 KAT2B (0.38)
SCHEMBL17844160 0.78 SIGMAR1 (0.45) ACHEBCHE
SCHEMBL1996993 0.74 NR1H2 (0.44) PRKAA2GRIN1GRIN2BGABRA5MAPT
SCHEMBL5184355 0.74 BRD4 (0.36)
SCHEMBL17844153 0.72 MAPK8 (0.41) MAPT
SCHEMBL3546550 0.72 LMNA (0.42)
SCHEMBL17844145 0.71 HRH3 (0.38) MAPT

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed