SCHEMBL9865510

SCHEMBL9865510

CCS(=O)(=O)c1sc(C(C)=O)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.41
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
SLC9A1 P19634 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 2/20 0.30
STING1 Q86WV6 1/20 0.30
HPGD P15428 1/20 0.30
GSK3B P49841 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL9864782 0.77 PSIP1 (0.31) RORC
SCHEMBL16863728 0.73 USP7 (0.47) USP7GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL3816299 0.71 ALDH1A1 (0.44) USP7ALDH1A1KDM4ESLC9A1MAPT
SCHEMBL10747385 0.71 USP47 (0.47) USP7ALDH1A1KDM4EMAPTNPSR1
SCHEMBL2680797 0.71 KDM4E (0.45) GAAL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL29055341 0.70 SLC9A1 (0.32) USP7SLC9A1
SCHEMBL9865166 0.70 USP7 (0.40) USP7GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL9864443 0.69 USP7 (0.57) USP7GAAKDM4ESMN1; SMN2CLK1
SCHEMBL5405012 0.68 LMNA (0.41) USP7GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL9864770 0.67 USP7 (0.42) USP7L3MBTL1KDM4ESMN1; SMN2CLK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994485-A Seed and soil fungi, bacteria DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-02-19 US disclosed
EP-0234622-B1 NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-06-27 EP disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP disclosed