SCHEMBL24064907

SCHEMBL24064907

O=C(O)C(Cc1ccc(O)cc1)NC(=S)Nc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.62
▸ CA2 P00918 4/20 0.62
▸ MME P08473 5/20 0.50
▸ ACE P12821 5/20 0.50
▸ CPA1 P15085 2/20 0.50
▸ ACE2 Q9BYF1 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ FPR2 P25090 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ FOLH1 Q04609 1/20 0.45
▸ NAALAD2 Q9Y3Q0 1/20 0.45

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
SCHEMBL24064925 0.93 CA1 (0.63) CA1CA2MMEACECPA1
SCHEMBL12002472 0.86 CA1 (0.72) CA1CA2MMEACEFPR2
SCHEMBL12002473 0.86 CA1 (0.72) CA1CA2MMEACEFPR2
SCHEMBL24064906 0.82 CA1 (0.58) CA1CA2NPC1RAB9AGAA
SCHEMBL12002557 0.78 CA1 (0.74) CA1CA2MMEFPR2GAA
SCHEMBL12002558 0.78 CA1 (0.74) CA1CA2MMEFPR2GAA
SCHEMBL7515790 0.78 CA2 (0.63) CA1CA2MMEACECPA1
SCHEMBL7515793 0.78 CA2 (0.63) CA1CA2MMEACECPA1
SCHEMBL24064910 0.77 TRHDE (0.44) CA1CA2NPC1RAB9AGAA
SCHEMBL18478933 0.75 ACE (0.60) MMEACECPA1ACE2

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-20210372959-A1 Nanopore Method for Identifying Single Amino Acid in Oligopeptides UNIVERSITY OF SOUTH CAROLINA (US) 2021-12-02 — — US disclosed
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