SCHEMBL24064910

SCHEMBL24064910

O=C(O)C(Cc1c[nH]cn1)NC(=S)Nc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRHDE Q9UKU6 1/20 0.44
▸ CA1 P00915 6/20 0.43
▸ CA2 P00918 6/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PIN1 Q13526 3/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ QPCT Q16769 1/20 0.38

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
SCHEMBL29086848 0.85 TRHDE (0.43) TRHDERAB9ANPC1GAAKMT2A
SCHEMBL24064925 0.81 CA1 (0.63) TRHDECA1CA2RAB9ANPC1
SCHEMBL10586736 0.81 PIN1 (0.59) CA2PIN1
SCHEMBL10586739 0.81 PIN1 (0.59) CA2PIN1
SCHEMBL24064906 0.77 CA1 (0.58) CA1CA2RAB9ANPC1GAA
SCHEMBL24064907 0.77 CA1 (0.62) CA1CA2RAB9ANPC1GAA
N-Histidyl-2-Aminonaphthalene (Betana) SCHEMBL4292344 0.77 MAPT (0.46) TRHDERAB9ANPC1GAAKMT2A
N-Histidyl-2-Aminonaphthalene (Betana) SCHEMBL4292342 0.77 MAPT (0.46) TRHDERAB9ANPC1GAAKMT2A
N-Histidyl-2-Aminonaphthalene (Betana) SCHEMBL29941314 0.77 MAPT (0.46) TRHDERAB9ANPC1GAAKMT2A
SCHEMBL10521313 0.77 P2RY14 (0.51) GAAKMT2AMEN1POLBALDH1A1

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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