SCHEMBL27189819

SCHEMBL27189819

[CH2]c1ccc(NC(=O)[C@H](CCCCN)NC(=O)CC(=O)CC(=O)NCCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCn2cc(CNC(=O)CCCC#Cc3cnc(S(C)(=O)=O)nc3)nn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ FOLH1 Q04609 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
SCHEMBL27189806 0.86 FOLH1 (0.34) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL22561476 0.79 FOLH1 (0.34) NMT2NMT1FOLH1
SCHEMBL22618763 0.79 FOLH1 (0.34) NMT2NMT1FOLH1
SCHEMBL26603616 0.77 FOLH1 (0.34) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL26108373 0.72 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27189813 0.71 HDAC3 (0.35) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL27410348 0.70 CA1 (0.33) —
SCHEMBL27189817 0.69 NMT2 (0.32) NMT2NMT1FOLH1
SCHEMBL23193195 0.67 OPRM1 (0.34) FOLH1
SCHEMBL25045543 0.67 PARP14 (0.31) —

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-4349372-A1 ANTIBODY DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2024-04-10 — — EP disclosed
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