SCHEMBL9865714

SCHEMBL9865714

CCCSc1sc(C#N)c(N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
GRIA4 P48058 1/20 0.40
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 5/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 6/20 0.35
HSD17B10 Q99714 3/20 0.35
HTT P42858 1/20 0.35
GAA P10253 3/20 0.33
MAPK1 P28482 3/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL9865601 0.90 ALDH1A1 (0.39) ALDH1A1GRIA4MAPTNPSR1L3MBTL1
SCHEMBL9864955 0.88 ALDH1A1 (0.41) ALDH1A1GRIA4MAPTNPSR1L3MBTL1
SCHEMBL9864878 0.88 ALDH1A1 (0.41) ALDH1A1GRIA4MAPTNPSR1L3MBTL1
SCHEMBL9864663 0.86 GRIA4 (0.37) ALDH1A1GRIA4MAPTNPSR1L3MBTL1
SCHEMBL9865499 0.80 ALDH1A1 (0.47) ALDH1A1GRIA4MAPTNPSR1L3MBTL1
SCHEMBL9865160 0.77 GRIA4 (0.49) ALDH1A1GRIA4MAPTNPSR1L3MBTL1
SCHEMBL9493186 0.77 ALDH1A1 (0.38) ALDH1A1GRIA4MAPTNPSR1L3MBTL1
SCHEMBL9865356 0.72 MEN1 (0.63) ALDH1A1MAPTNPSR1L3MBTL1MEN1
SCHEMBL9864823 0.71 ALDH1A1 (0.39) ALDH1A1GRIA4MAPTNPSR1L3MBTL1
SCHEMBL9865755 0.70 MEN1 (0.73) ALDH1A1GRIA4MAPTNPSR1L3MBTL1

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