SCHEMBL17844171

SCHEMBL17844171

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCN(Cc3ccccc3)C2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.47
DRD2 P14416 6/20 0.47
DRD4 P21917 6/20 0.47
BCHE P06276 6/20 0.46
ACHE P22303 6/20 0.46
BACE1 P56817 4/20 0.46
KAT2B Q92831 5/20 0.46
HTR2A P28223 1/20 0.43
OPRK1 P41145 1/20 0.43

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 0.95 ACHE (0.50) MALT1DRD2DRD4BCHEACHE
SCHEMBL17844160 0.89 SIGMAR1 (0.45) DRD2DRD4BCHEACHE
SCHEMBL17844243 0.79 PRKAA2 (0.43) BCHEACHE
SCHEMBL3546550 0.75 LMNA (0.42)
SCHEMBL17844145 0.73 HRH3 (0.38)
SCHEMBL2003262 0.71 BCHE (0.50) MALT1DRD2DRD4BCHEACHE
SCHEMBL8259147 0.70 BACE1 (0.64) DRD2DRD4BCHEACHEBACE1
SCHEMBL2885290 0.70 BACE1 (0.64) DRD2DRD4BCHEACHEBACE1
SCHEMBL13761943 0.70 BACE1 (0.64) DRD2DRD4BCHEACHEBACE1
SCHEMBL331018 0.70 BCHE (0.68) MALT1DRD2DRD4BCHEACHE

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