SCHEMBL9865044

SCHEMBL9865044

C[S+]([O-])c1sc(C#N)c(Sc2ccccc2)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
GRIA4 P48058 1/20 0.31
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GRM6 O15303 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL9864453 0.77 GRIA4 (0.45) MAPTMAOAMAOBL3MBTL1PLA2G1B
SCHEMBL7861798 0.69 MAOA (0.56) MAPTMAOAMAOBL3MBTL1PLA2G1B
SCHEMBL27275585 0.68 ADORA1 (0.36)
SCHEMBL9865724 0.67 MEN1 (0.32) MAPTALDH1A1HPGD
SCHEMBL27275583 0.67 MAPT (0.43) MAPTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL10654822 0.66 ALDH1A1 (0.39) L3MBTL1LMNAGRM6KDM4EALDH1A1
SCHEMBL9865016 0.65 FNTA (0.39) MAPTL3MBTL1GRIA4LMNATDP1
SCHEMBL9865004 0.64 MAOA (0.42) MAPTMAOAMAOBL3MBTL1PLA2G1B
SCHEMBL27275581 0.64
SCHEMBL7106251 0.63 MAOA (0.48) MAPTMAOAMAOBL3MBTL1PLA2G1B

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