SCHEMBL9864453

SCHEMBL9864453

CSc1sc(C#N)c(Sc2ccccc2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.45
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.37
GRIA2 P42262 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
GRM6 O15303 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32

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
SCHEMBL9865044 0.77 MAPT (0.36) GRIA4MAOAMAOBKDM4EL3MBTL1
SCHEMBL9865004 0.74 MAOA (0.42) GRIA4MAOAMAOBKDM4EL3MBTL1
SCHEMBL7861798 0.73 MAOA (0.56) MAOAMAOBKDM4EL3MBTL1MAPK1
SCHEMBL7106251 0.67 MAOA (0.48) MAOAMAOBKDM4EL3MBTL1NPSR1
SCHEMBL9493186 0.67 ALDH1A1 (0.38) GRIA4KDM4EL3MBTL1MAPK1NPSR1
SCHEMBL9866049 0.67 GRIA4 (0.39) GRIA4KDM4EL3MBTL1MAPK1NPSR1
SCHEMBL7869250 0.65 CA12 (0.49) MAOAMAOBKDM4EL3MBTL1MAPK1
SCHEMBL9866387 0.65 GRIA4 (0.34) GRIA4KDM4EMAPTALDH1A1GRIA2
SCHEMBL10655060 0.65 GRIA4 (0.47) GRIA4KDM4EL3MBTL1MAPK1NPSR1
SCHEMBL5074837 0.64 ALDH1A1 (0.55) MAOAMAOBKDM4EL3MBTL1MAPK1

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