SCHEMBL28518773

SCHEMBL28518773

CSCCC(NC(=O)c1cccc(CNC(=O)O)c1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.53
FNTB P49356 8/20 0.53
PGGT1B P53609 2/20 0.53
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL21242074 0.91 PHGDH (0.51) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL22971500 0.91 PHGDH (0.51) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL21241791 0.91 HDAC1 (0.48) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL30492578 0.91 HDAC3 (0.49) ROCK2ROCK1HDAC3HDAC4HDAC1
SCHEMBL21224427 0.90 FNTA (0.49) FNTAFNTBPGGT1BROCK2ROCK1
SCHEMBL21224429 0.90 FNTA (0.49) FNTAFNTBPGGT1BROCK2ROCK1
SCHEMBL22970168 0.90 HDAC1 (0.49) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL21241960 0.90 HDAC1 (0.49) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL21224155 0.89 MEN1 (0.60) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL21224156 0.89 MEN1 (0.60) MEN1KMT2AHDAC3HDAC4HDAC1

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
CN-112153984-A Compound and use thereof 福宏治疗公司 2020-12-29 CN disclosed