SCHEMBL20417372

SCHEMBL20417372

NC(=O)C(N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.85
▸ CA12 O43570 4/20 0.58
▸ CA1 P00915 4/20 0.58
▸ CA2 P00918 4/20 0.58
▸ CA9 Q16790 4/20 0.58
▸ FOLH1 Q04609 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CAPN1 P07384 2/20 0.55
▸ PLCD1 P51178 1/20 0.54
▸ F2 P00734 1/20 0.54
▸ PRSS1 P07477 1/20 0.54
▸ PRSS2 P07478 1/20 0.54

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
SCHEMBL12372458 1.00 TDP1 (0.85) TDP1CA12CA1CA2CA9
SCHEMBL23745168 1.00 TDP1 (0.85) TDP1CA12CA1CA2CA9
SCHEMBL12424058 0.92 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL13510665 0.92 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL10171640 0.92 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL305707 0.92 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL564538 0.92 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL305706 0.92 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL31429755 0.92 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL17776290 0.92 TDP1 (1.00) TDP1CA12CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303999-A1 COMBINATORIAL PLATFORM FOR HIGH-THROUGHPUT POLYNUCLEOTIDE-ENCODED CATALYST DISCOVERY WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-09-28 — — US disclosed
WO-2018136646-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES PROTAGONIST THERAPEUTICS, INC. (US) 2018-07-26 — — WO disclosed
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