SCHEMBL21241981

SCHEMBL21241981

CN(C)Sc1cccc(C(=O)NCC(=O)Nc2nc(-c3ccccn3)cs2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
KDM4A O75164 4/20 0.54
KDM4B O94953 4/20 0.54
KDM5B Q9UGL1 4/20 0.54
KDM5C P41229 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
CCR6 P51684 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.48
SLC2A1 P11166 1/20 0.48

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 0.89 MAPT (0.55) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL21241887 0.86 SIRT5 (0.41) ALDH1A1MAPTPOLBKDM4ETDP1
SCHEMBL21241888 0.86 MAPT (0.40) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL21242061 0.85 POLB (0.52) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL21241854 0.85 MAPT (0.48) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL21241789 0.85 MAPT (0.47) MAPTPOLBGAAMEN1KMT2A
SCHEMBL21241795 0.84 MAPT (0.45) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL21241947 0.83 ADORA3 (0.53) ADORA3ALDH1A1MAPTPOLBKDM4E
SCHEMBL21224200 0.83 KDM4A (0.65) ADORA3ALDH1A1MAPTPOLBKDM4E
SCHEMBL21241803 0.82 CSNK2A2 (0.41) LMNAMEN1KMT2AL3MBTL1

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