SCHEMBL23031867

SCHEMBL23031867

N/C=N\N=C(/N)c1ccc(CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.43
▸ CAMK2A Q9UQM7 1/20 0.43
▸ PRSS1 P07477 3/20 0.43
▸ KLK1 P06870 2/20 0.43
▸ TMPRSS2 O15393 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ AKR1B1 P15121 1/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NR1H4 Q96RI1 4/20 0.40
▸ SRD5A2 P31213 2/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PRSS2 P07478 1/20 0.39

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
SCHEMBL21300883 0.80 LOXL2 (0.47) PRSS1F2PRSS2PRSS3
SCHEMBL3462583 0.78 CA2 (0.50) CA2CAMK2APRSS1KLK1TMPRSS2
SCHEMBL21223499 0.78 CA2 (0.50) CA2CAMK2APRSS1KLK1TMPRSS2
SCHEMBL3462585 0.78 CA2 (0.50) CA2CAMK2APRSS1KLK1TMPRSS2
SCHEMBL22647077 0.76 CA2 (0.48) CA2CAMK2APRSS1KLK1TMPRSS2
SCHEMBL21300881 0.76 TPSAB1 (0.50) CA2PRSS1ITGB3ITGA2BLMNA
SCHEMBL18891357 0.75 KMT2A (0.48) GAATSHRF2L3MBTL1SMN1; SMN2
SCHEMBL22815269 0.73 KDM1A (0.48) CA2LMNAGAAHTTKDM4E
SCHEMBL23032115 0.73 L3MBTL1 (0.58) CA2LMNANR1H4EPHX2L3MBTL1
SCHEMBL4022608 0.73 PLA2G10 (0.61) CA2CAMK2APRSS1KLK1TMPRSS2

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
WO-2021034924-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. (US) 2021-02-25 — — WO disclosed
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