SCHEMBL22305385

SCHEMBL22305385

CSCC[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
STAT3 P40763 1/20 0.54
ELOVL1 Q9BW60 1/20 0.53
SLC12A2 P55011 1/20 0.53
SLC12A5 Q9H2X9 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ADORA3 P0DMS8 1/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
GSTO1 P78417 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ROCK2 O75116 3/20 0.50
ROCK1 Q13464 3/20 0.50

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
SCHEMBL21224560 0.87 HDAC6 (0.63) MAPTMEN1KMT2ASTAT3ELOVL1
SCHEMBL21224715 0.87 HDAC6 (0.63) MAPTMEN1KMT2ASTAT3ELOVL1
SCHEMBL21224324 0.84 SCD (0.57) MAPTMEN1KMT2ASMN1; SMN2ADORA3
SCHEMBL21224323 0.84 SCD (0.57) MAPTMEN1KMT2ASMN1; SMN2ADORA3
SCHEMBL23729555 0.84 MAPT (0.60) MAPTMEN1KMT2ASTAT3ELOVL1
SCHEMBL22970146 0.83 HDAC6 (0.67) MAPTMEN1KMT2ASTAT3ELOVL1
SCHEMBL28907950 0.83 NPC1 (0.52) MAPTMEN1KMT2ASTAT3ELOVL1
SCHEMBL28659457 0.83 NPC1 (0.52) MAPTMEN1KMT2ASTAT3ELOVL1
SCHEMBL21225185 0.82 SCD (0.54) MAPTMEN1KMT2ASMN1; SMN2ADORA3
Trifluoroacetic Acid SCHEMBL21224201 0.82 HDAC6 (0.57) MAPTMEN1KMT2ASTAT3ELOVL1

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-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed