SCHEMBL25678192

SCHEMBL25678192

NNc1ccc(C(=O)NCc2ccc(S(=O)(=O)O)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 11/20 0.53
▸ CA1 P00915 6/20 0.53
▸ EPHX2 P34913 4/20 0.49
▸ HPGDS O60760 2/20 0.46
▸ NR1H4 Q96RI1 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NAMPT P43490 1/20 0.44

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
SCHEMBL25677914 0.86 HPGDS (0.46) CA2CA1HPGDSL3MBTL1NAMPT
SCHEMBL16110424 0.83 L3MBTL1 (0.66) CA2EPHX2HPGDSL3MBTL1
SCHEMBL16109524 0.80 EPHX2 (0.56) EPHX2L3MBTL1NAMPT
SCHEMBL22893169 0.78 HPGDS (0.46) EPHX2HPGDSNR1H4L3MBTL1
SCHEMBL217496 0.74 NNMT (0.49) CA2CA1L3MBTL1
SCHEMBL12388325 0.74 HCAR3 (0.51) —
SCHEMBL8126559 0.74 NNMT (0.42) EPHX2L3MBTL1
SCHEMBL8515103 0.72 KDM4E (0.49) EPHX2NAMPT
SCHEMBL13349296 0.71 POLB (0.50) EPHX2NAMPT
SCHEMBL6417682 0.71 ALDH1A1 (0.49) CA2CA1NAMPT

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-20230194537-A1 COMPOUNDS FOR THE DETECTION OF GLYCANS Life Technologies Corporation 2023-06-22 — — US disclosed
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