SCHEMBL29693301

SCHEMBL29693301

O=C(O)[C@H](CS)NN[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MME P08473 4/20 0.33
ACE P12821 1/20 0.32
CPB2 Q96IY4 3/20 0.32
CPB1 P15086 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
Hydrochloric Acid SCHEMBL30634622 0.91 CPB2 (0.34) SMN1; SMN2CPB2CPB1
SCHEMBL31146592 0.87 MME (0.34) MMECPB2CPB1CA1CA2
SCHEMBL3138900 0.84 CPB2 (0.33) SMN1; SMN2MMECPB2CPB1
SCHEMBL15101094 0.84 KDM4E (0.30) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16770241 0.84 ACE (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8526485 0.84 CPB2 (0.34) CPB2CPB1
SCHEMBL8526486 0.84 CPB2 (0.34) CPB2CPB1
SCHEMBL4292046 0.83 CPB2 (0.33) SMN1; SMN2MMECPB2CPB1
SCHEMBL4292047 0.83 CPB2 (0.33) SMN1; SMN2MMECPB2CPB1
SCHEMBL31359131 0.83 CPB2 (0.32) CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025002339-A1 NOVEL ENGINEERED LYASE AND USE THEREOF 上海赛增医疗科技有限公司 2025-01-02 WO claimed
EP-3252068-B1 METHODS AND COMPOSITIONS FOR MODULATING GENE EXPRESSION USING OLIGONUCLEOTIDE BASED DRUGS ADMINISTERED IN VIVO OR IN VITRO SMITH LARRY J (US) 2025-07-02 EP disclosed
US-12319914-B2 Methods and compositions for modulating gene expression using oligonucleotide based drugs administered in vivo or in vitro SMITH LARRY J (US) 2025-06-03 US disclosed
WO-2025002339-A1 NOVEL ENGINEERED LYASE AND USE THEREOF 上海赛增医疗科技有限公司 2025-01-02 WO disclosed
CN-115181279-B Fluorescent metal-organic framework material for detecting biomarker 3-nitrotyrosine of human body and application thereof 渤海大学 2023-05-12 CN disclosed
EP-4089169-A1 METHODS AND COMPOSITIONS FOR MODULATING GENE EXPRESSION USING OLIGONUCLEOTIDE BASED DRUGS ADMINISTERED IN VIVO OR IN VITRO Smith, Larry J. (US) 2022-11-16 EP disclosed
US-20220290150-A1 METHODS AND COMPOSITIONS FOR MODULATING GENE EXPRESSION USING OLIGONUCLEOTIDE BASED DRUGS ADMINISTERED IN VIVO OR IN VITRO SMITH LARRY J (US) 2022-09-15 US disclosed
CN-114660028-A Method for detecting melamine by fluorescence lateral flow chromatography based on gold nano-cluster aggregation induction enhancement 江南大学 2022-06-24 CN disclosed
US-11359201-B2 Methods and compositions for modulating gene expression using oligonucleotide based drugs administered in vivo or in vitro SMITH LARRY J (US) 2022-06-14 US disclosed