SCHEMBL17844249

SCHEMBL17844249

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCN(Cc3ccccc3)CC2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
BCHE P06276 2/20 0.50
MALT1 Q9UDY8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
NTSR1 P30989 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BACE1 P56817 2/20 0.43
MAPK1 P28482 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL17844171 0.95 MALT1 (0.47) ACHEBCHEMALT1BACE1DRD2
SCHEMBL17844160 0.90 SIGMAR1 (0.45) ACHEBCHEGAAKMT2AMEN1
SCHEMBL17844164 0.85 KAT2B (0.38) MAPK1
SCHEMBL17844243 0.84 PRKAA2 (0.43) ACHEBCHEMAPT
SCHEMBL3546550 0.78 LMNA (0.42) KDM4EKMT2AMEN1HTTLMNA
SCHEMBL17844145 0.75 HRH3 (0.38) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL17844162 0.73 HRH3 (0.41) KDM4EMAPTALDH1A1
SCHEMBL9785716 0.72 POLB (0.59) ACHEBCHEKDM4EGAAKMT2A
SCHEMBL28781788 0.70 ACHE (0.59) ACHEBCHEKDM4EGAAKMT2A
SCHEMBL1998211 0.69 ACHE (0.57) ACHEBCHEMALT1KDM4EGAA

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