SCHEMBL24064925

SCHEMBL24064925

O=C(O)C(Cc1ccccc1)NC(=S)Nc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.63
▸ CA2 P00918 4/20 0.63
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ FPR2 P25090 9/20 0.55
▸ MME P08473 1/20 0.51
▸ ACE P12821 1/20 0.51
▸ CPA1 P15085 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51
▸ TRHDE Q9UKU6 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL24064907 0.93 CA1 (0.62) CA1CA2NPC1RAB9AFPR2
SCHEMBL24064906 0.86 CA1 (0.58) CA1CA2NPC1RAB9AGAA
SCHEMBL12002557 0.85 CA1 (0.74) CA1CA2FPR2MMEGAA
SCHEMBL12002558 0.85 CA1 (0.74) CA1CA2FPR2MMEGAA
SCHEMBL20335071 0.82 CA1 (0.70) CA1CA2NPC1RAB9AFPR2
SCHEMBL20335070 0.82 CA1 (0.70) CA1CA2NPC1RAB9AFPR2
SCHEMBL20335040 0.81 GAA (0.61) CA1CA2FPR2GAA
SCHEMBL20335041 0.81 GAA (0.61) CA1CA2FPR2GAA
SCHEMBL24064910 0.81 TRHDE (0.44) CA1CA2NPC1RAB9ATRHDE
SCHEMBL2779289 0.81 PPARG (0.53) NPC1RAB9AFPR2MMEACE

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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