SCHEMBL23730002

SCHEMBL23730002

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.56
MAPT P10636 4/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
STAT3 P40763 1/20 0.50
ELOVL1 Q9BW60 1/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.48
PARP1 P09874 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
APP P05067 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL23705566 0.87 GSTO1 (0.56) GSTO1MAPTRAB9ANPC1CASP3
SCHEMBL23705564 0.87 GSTO1 (0.56) GSTO1MAPTRAB9ANPC1CASP3
SCHEMBL23705601 0.87 GSTO1 (0.56) GSTO1MAPTRAB9ANPC1CASP3
SCHEMBL23705602 0.87 GSTO1 (0.56) GSTO1MAPTRAB9ANPC1CASP3
SCHEMBL23730027 0.83 GSTO1 (0.49) GSTO1MAPTRAB9ANPC1CASP3
SCHEMBL23705731 0.81 HDAC6 (0.58) GSTO1MAPTRAB9ANPC1CASP3
SCHEMBL23705727 0.81 HDAC6 (0.58) GSTO1MAPTRAB9ANPC1CASP3
SCHEMBL30061024 0.81 HDAC4 (0.52) GSTO1MAPTRAB9ANPC1CASP3
SCHEMBL23729555 0.81 MAPT (0.60) GSTO1MAPTRAB9ANPC1CASP3
SCHEMBL23729267 0.78 MRE11 (0.52) MAPTRAB9ANPC1CASP3SENP7

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-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed