SCHEMBL23729267

SCHEMBL23729267

C[C@@H](COCc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 10/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
APP P05067 1/20 0.48
ELOVL1 Q9BW60 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
STAT3 P40763 1/20 0.46

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
SCHEMBL23705751 0.89 MRE11 (0.52) MRE11MAPTKDM4EMEN1KMT2A
SCHEMBL23705752 0.89 MRE11 (0.52) MRE11MAPTKDM4EMEN1KMT2A
SCHEMBL26614504 0.85 CTSS (0.58) MRE11MAPTKDM4EMEN1KMT2A
SCHEMBL26614511 0.85 CTSS (0.58) MRE11MAPTKDM4EMEN1KMT2A
SCHEMBL23729766 0.81 SMARCA2 (0.46) MRE11MAPTKDM4EMEN1KMT2A
SCHEMBL26614567 0.79 SMARCA2 (0.60) MRE11MAPTKDM4EMEN1KMT2A
SCHEMBL23730002 0.78 GSTO1 (0.56) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL23729555 0.76 MAPT (0.60) MAPTMEN1KMT2AELOVL1NPC1
SCHEMBL23705549 0.76 HDAC6 (0.52) MRE11MAPTKDM4EMEN1KMT2A
SCHEMBL23705551 0.76 HDAC6 (0.52) MRE11MAPTKDM4EMEN1KMT2A

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