SCHEMBL30960823

SCHEMBL30960823

Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CC(C=O)C(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.75
▸ AKR1B1 P15121 4/20 0.75
▸ KDM4E B2RXH2 1/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ ALDH1A1 P00352 1/20 0.75
▸ POLB P06746 1/20 0.75
▸ GAA P10253 1/20 0.75
▸ HPGD P15428 1/20 0.75
▸ TSHR P16473 1/20 0.75
▸ PTGS2 P35354 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ HSD17B10 Q99714 1/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ ADORA3 P0DMS8 1/20 0.55
▸ DHFR P00374 6/20 0.53
▸ GART P22102 2/20 0.50
▸ ATIC P31939 2/20 0.50
▸ NOS1 P29475 1/20 0.43

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
SCHEMBL15094347 0.91 AKR1B1 (0.81) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL30174303 0.91 AKR1B1 (0.81) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL28226859 0.90 AKR1B1 (0.80) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL11897941 0.89 AKR1B1 (0.79) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL869875 0.89 AKR1B1 (0.79) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL30634933 0.89 AKR1B1 (0.79) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL29423667 0.89 AKR1B1 (0.79) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL6679712 0.88 AKR1B1 (0.77) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL15530422 0.88 AKR1B1 (0.77) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL16150298 0.88 AKR1B1 (0.77) TYMSAKR1B1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4410982-A1 METHOD FOR PRODUCING POLYPEPTIDE, TAG, EXPRESSION VECTOR, METHOD FOR EVALUATING POLYPEPTIDE, METHOD FOR PRODUCING NUCLEIC ACID DISPLAY LIBRARY, AND SCREENING METHOD FUJIFILM Corporation (JP) 2024-08-07 — — EP disclosed
US-20240247253-A1 PRODUCTION METHOD OF POLYPEPTIDE, TAG, EXPRESSION VECTOR, EVALUATION METHOD OF POLYPEPTIDE, PRODUCTION METHOD OF NUCLEIC ACID DISPLAY LIBRARY, AND SCREENING METHOD FUJIFILM CORPORATION (JP) 2024-07-25 — — US disclosed
US-20240229015-A1 tRNA, AMINOACYL tRNA, REAGENT FOR POLYPEPTIDE SYNTHESIS, INTRODUCTION METHOD OF UNNATURAL AMINO ACID, PRODUCTION METHOD OF POLYPEPTIDE, PRODUCTION METHOD OF NUCLEIC ACID DISPLAY LIBRARY, NUCLEIC ACID-POLYPEPTIDE CONJUGATE, AND SCREENING METHOD FUJIFILM CORPORATION (JP) 2024-07-11 — — US disclosed
EP-4389890-A1 TRNA, AMINOACYL-TRNA, POLYPEPTIDE SYNTHESIS REAGENT, UNNATURAL AMINO ACID INCORPORATION METHOD, POLYPEPTIDE PRODUCTION METHOD, NUCLEIC ACID DISPLAY LIBRARY PRODUCTION METHOD, NUCLEIC ACID/POLYPEPTIDE CONJUGATE, AND SCREENING METHOD FUJIFILM Corporation (JP) 2024-06-26 — — EP disclosed
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