SCHEMBL21241803

SCHEMBL21241803

CC(C)c1csc(NC(=O)CNC(=O)c2cccc(SN(C)C)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
PDE5A O76074 2/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
GPR139 Q6DWJ6 9/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRM1 Q13255 1/20 0.39
LMNA P02545 1/20 0.39
CSNK1D P48730 1/20 0.39
GCK P35557 1/20 0.38
NPC1 O15118 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
SCHEMBL21241931 0.84 MAPT (0.55) MEN1KMT2ACYP1A2CYP2C9NPC1
SCHEMBL21241888 0.83 MAPT (0.40) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL21241981 0.82 ADORA3 (0.54) MEN1KMT2ALMNAL3MBTL1
SCHEMBL21241854 0.82 MAPT (0.48) CSNK2A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL21242061 0.82 POLB (0.52) MEN1KMT2ALMNANPC1L3MBTL1
SCHEMBL21224266 0.82 MEN1 (0.54) MEN1KMT2ALMNANPC1L3MBTL1
SCHEMBL21241887 0.81 SIRT5 (0.41) MEN1KMT2ALMNACSNK1D
SCHEMBL21241789 0.81 MAPT (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3GPR139
SCHEMBL21241795 0.81 MAPT (0.45) MEN1KMT2ALMNANPC1
SCHEMBL21242073 0.81 RORC (0.46) PDE5APDE1APDE1BPDE1CCSNK1D

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-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 WO disclosed