SCHEMBL29928558

SCHEMBL29928558

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

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.75
▸ FOLH1 Q04609 8/20 0.69
▸ CAPN1 P07384 2/20 0.57
▸ MEN1 O00255 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ IDE P14735 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ RIN1 Q13671 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ PLCD1 P51178 1/20 0.51

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
SCHEMBL9807479 0.94 TDP1 (0.77) TDP1FOLH1CAPN1MEN1ABL1
SCHEMBL27233233 0.94 TDP1 (0.69) TDP1FOLH1CAPN1MEN1ABL1
SCHEMBL27233227 0.94 TDP1 (0.69) TDP1FOLH1CAPN1MEN1ABL1
SCHEMBL10044328 0.93 TDP1 (0.72) TDP1FOLH1CAPN1MEN1ABL1
SCHEMBL12809811 0.92 TDP1 (0.73) TDP1FOLH1CAPN1MEN1ABL1
SCHEMBL29512013 0.88 TDP1 (0.63) TDP1FOLH1CAPN1MEN1ABL1
SCHEMBL739034 0.88 TDP1 (0.63) TDP1FOLH1CAPN1MEN1ABL1
SCHEMBL14547441 0.87 FOLH1 (0.72) TDP1FOLH1CAPN1PKM
SCHEMBL4732514 0.87 FOLH1 (0.72) TDP1FOLH1CAPN1PKM
SCHEMBL10308270 0.87 TDP1 (0.74) TDP1FOLH1CAPN1MEN1ABL1

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
EP-4085145-A1 GUIDED EXCISION-TRANSPOSITION SYSTEMS The Broad Institute Inc. (US) 2022-11-09 — — EP disclosed
EP-4081260-A1 PROGRAMMABLE DNA NUCLEASE-ASSOCIATED LIGASE AND METHODS OF USE THEREOF The Broad Institute Inc. (US) 2022-11-02 — — EP disclosed
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