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Sugi Predict / Compounds / SCHEMBL23140680

SCHEMBL23140680

SCHEMBL23140680

C=CCCC(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(=O)O[C@@H]1[C@H](COP(=O)(O)O[C@H]2CC(n3ccc(N)nc3=O)O[C@@H]2COP(=O)(O)O)OC(n2cnc3c(N)ncnc32)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 8/20 0.43
▸ ENPP1 P22413 1/20 0.42
▸ AURKA O14965 1/20 0.40
▸ CHAT P28329 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ KAT5 Q92993 1/20 0.40
▸ NAA50 Q9GZZ1 1/20 0.40

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
SCHEMBL16288671 1.00 RNASEL (0.43) RNASELENPP1AURKACHATEP300
SCHEMBL29540015 1.00 RNASEL (0.43) RNASELENPP1AURKACHATEP300
SCHEMBL16288679 1.00 RNASEL (0.43) RNASELENPP1AURKACHATEP300
SCHEMBL16288668 1.00 RNASEL (0.43) RNASELENPP1AURKACHATEP300
SCHEMBL23039203 1.00 RNASEL (0.43) RNASELENPP1AURKACHATEP300
SCHEMBL16288674 1.00 RNASEL (0.43) RNASELENPP1AURKACHATEP300
SCHEMBL16574850 1.00 RNASEL (0.43) RNASELENPP1AURKACHATEP300
SCHEMBL16578284 1.00 RNASEL (0.43) RNASELENPP1AURKACHATEP300
SCHEMBL21952424 0.94 RNASEL (0.47) RNASELENPP1
SCHEMBL15083421 0.94 RNASEL (0.44) RNASELENPP1

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
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 — — EP disclosed
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