SCHEMBL22561392

SCHEMBL22561392

CS(=O)(=O)c1ncc(-c2ccc(C(=O)NCc3cn(CCOCCNC(=O)COCC(=O)N[C@@H](CCCCN)C(=O)Nc4ccc(COC=O)cc4)nn3)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.36
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC6 Q9UBN7 4/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ NCOR2 Q9Y618 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ SIRT2 Q8IXJ6 3/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ CA2 P00918 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ SETD7 Q8WTS6 1/20 0.30

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
SCHEMBL23193003 0.92 FOLH1 (0.35) FOLH1HDAC1HDAC6HDAC3HDAC2
SCHEMBL21137872 0.87 HDAC3 (0.30) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL23193103 0.83 FOLH1 (0.34) FOLH1HDAC1HDAC6SIRT2OPRM1
SCHEMBL23193044 0.82 FOLH1 (0.37) FOLH1HDAC1HDAC6HDAC3HDAC2
SCHEMBL22618762 0.82 FOLH1 (0.32) FOLH1
SCHEMBL22618791 0.80 FOLH1 (0.34) FOLH1OPRM1DGAT1SETD7
SCHEMBL23192990 0.80 FOLH1 (0.32) FOLH1
SCHEMBL22561476 0.80 FOLH1 (0.34) FOLH1OPRM1DRD2DGAT1
SCHEMBL22618763 0.79 FOLH1 (0.34) FOLH1OPRM1DGAT1
SCHEMBL27189806 0.77 FOLH1 (0.34) FOLH1HDAC1HDAC6HDAC3HDAC2

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
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 — — EP disclosed
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