SCHEMBL28048826

SCHEMBL28048826

NNC(=O)c1cccc2c1Sc1ccccc1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
GFER P55789 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MITF O75030 1/20 0.42
NCOA1 Q15788 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
P2RX7 Q99572 1/20 0.41
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 3/20 0.37
MAOB P27338 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL28751707 0.83 ALOX5 (0.44) ALDH1A1MAPTGAAKMT2AALOX5
Thianthrene SCHEMBL30108387 0.79 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1MAPT
SCHEMBL2762894 0.79 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1MAPT
SCHEMBL30944663 0.79 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1MAPT
SCHEMBL2762893 0.78 NOX1 (0.43) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9511389 0.77 KDM4E (0.50) CA1CA2CA9ALDH1A1MAPT
SCHEMBL11834948 0.76 ALOX5 (0.40) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL239328 0.76 CTSD (0.63) CTSDCA1CA2CA9ALDH1A1
SCHEMBL30547074 0.76 CTSD (0.63) CTSDCA1CA2CA9ALDH1A1
SCHEMBL2763019 0.76 ALOX5 (0.35) MAPTGAAALOX5KDM4EBCHE

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
CN-105189475-A Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LTD 2015-12-23 CN disclosed