SCHEMBL26073698

SCHEMBL26073698

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ HCRTR1 O43613 1/20 0.61
▸ NPBWR1 P48145 1/20 0.52
▸ MCHR1 Q99705 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ CA12 O43570 4/20 0.48
▸ CA1 P00915 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HPSE Q9Y251 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
SCHEMBL26073693 0.92 SLC6A4 (0.53) KMT2AMEN1HCRTR1SLC6A4TDP1
SCHEMBL5806608 0.91 SLC6A4 (0.54) KMT2AMEN1HCRTR1SLC6A4TDP1
SCHEMBL20168642 0.87 SLC6A4 (0.53) KMT2AMEN1HCRTR1SLC6A4CA12
SCHEMBL20168641 0.87 SLC6A4 (0.53) KMT2AMEN1HCRTR1SLC6A4CA12
SCHEMBL9787693 0.82 MMP1 (0.55) KMT2AMEN1SLC6A4TDP1
SCHEMBL17243945 0.82 SLC6A4 (0.47) KMT2AMEN1HCRTR1SLC6A4TDP1
SCHEMBL31004017 0.81 SLC6A4 (0.42) KMT2AMEN1HCRTR1SLC6A4
SCHEMBL20168529 0.78 TRPV1 (0.47) SLC6A4TDP1CA12CA1CA2
SCHEMBL20182251 0.78 TRPV1 (0.47) SLC6A4TDP1CA12CA1CA2
SCHEMBL20168527 0.78 TRPV1 (0.47) SLC6A4TDP1CA12CA1CA2

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
US-20230303999-A1 COMBINATORIAL PLATFORM FOR HIGH-THROUGHPUT POLYNUCLEOTIDE-ENCODED CATALYST DISCOVERY WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-09-28 — — US disclosed
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