SCHEMBL29860115

SCHEMBL29860115

CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 4/20 0.50
▸ REN P00797 2/20 0.50
▸ MALT1 Q9UDY8 4/20 0.48
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ CMA1 P23946 2/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ TACR1 P25103 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
SCHEMBL29859911 0.89 MALT1 (0.51) AKT1MALT1CMA1TACR1
SCHEMBL30225406 0.88 AKT1 (0.45) AKT1F2PRSS1ITGB1ITGA5
Acetic Acid SCHEMBL31076322 0.87 AKT1 (0.47) AKT1F2PRSS1ITGB1ITGA5
SCHEMBL30831830 0.85 F2 (0.59) AKT1F2PRSS1ITGB1ITGA5
SCHEMBL29387566 0.83 F2 (0.57) AKT1F2PRSS1ITGB1ITGA5
SCHEMBL29897716 0.82 SIRT1 (0.60) F2PRSS1
SCHEMBL31256537 0.81 GRB2 (0.49) AKT1MALT1ITGB1ITGA5
Acetic Acid SCHEMBL30041889 0.80 CTSB (0.52) F2
SCHEMBL9699194 0.79 CMA1 (0.67) CMA1TACR1
SCHEMBL1087489 0.79 KDM1A (0.50) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720326-A1 RECOMBINANT AMEBOCYTE CLOTTING FACTORS AND USES THEREOF Charles River Laboratories, Inc. (US) 2026-04-08 — — EP disclosed
US-20250002609-A1 ANTI-KLK5 ANTIBODIES AND METHODS OF USE GENENTECH, INC. (US) 2025-01-02 — — US disclosed
US-12037412-B2 Anti-KLK5 antibodies and methods of use GENENTECH, INC. (US) 2024-07-16 — — US disclosed
EP-4291648-A1 HYBRID AMEBOCYTE LYSATE AND USES THEREOF Charles River Laboratories, Inc. (US) 2023-12-20 — — EP disclosed
WO-2022174082-A1 HYBRID AMEBOCYTE LYSATE AND USES THEREOF CHARLES RIVER LABORATORIES, INC. (US) 2022-08-18 — — WO disclosed
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