SCHEMBL23715360

SCHEMBL23715360

CNn1ccc(C(=O)NC(CCSC)C(=O)Nc2nc(-c3cccc(-c4ccncc4)c3)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.49
SMARCA4 P51532 2/20 0.49
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC4 P56524 3/20 0.40
MEF2D Q14814 3/20 0.40
EP300 Q09472 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MRE11 P49959 1/20 0.39
ROCK1 Q13464 4/20 0.39
ROCK2 O75116 2/20 0.39
GPR142 Q7Z601 1/20 0.39
ALK Q9UM73 1/20 0.38
PRKACA P17612 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
SCHEMBL22305923 0.89 SMARCA2 (0.41) SMARCA2SMARCA4PARP1ALDH1A1MAPT
SCHEMBL21241805 0.88 SMARCA2 (0.48) SMARCA2SMARCA4PARP1ALDH1A1MAPT
SCHEMBL21225225 0.88 SMARCA2 (0.65) SMARCA2SMARCA4PARP1ALDH1A1MAPT
SCHEMBL21225224 0.88 SMARCA2 (0.65) SMARCA2SMARCA4PARP1ALDH1A1MAPT
SCHEMBL24049477 0.88 SMARCA2 (0.48) SMARCA2SMARCA4PARP1ALDH1A1MAPT
SCHEMBL21241867 0.88 PARP1 (0.53) PARP1ALDH1A1MAPTTHRBMEN1
SCHEMBL22971637 0.85 PARP1 (0.46) SMARCA2SMARCA4PARP1ALDH1A1MAPT
SCHEMBL21224192 0.85 PARP1 (0.46) SMARCA2SMARCA4PARP1ALDH1A1MAPT
SCHEMBL21224191 0.85 PARP1 (0.46) SMARCA2SMARCA4PARP1ALDH1A1MAPT
SCHEMBL23714619 0.85 MRE11 (0.46) PARP1CYP3A4HDAC4MEF2DEP300

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-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed