SCHEMBL9865004

SCHEMBL9865004

N#Cc1sc(Sc2ccccc2)c(C#N)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPT P10636 3/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCL1 Q07820 1/20 0.33
GRIA4 P48058 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 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
SCHEMBL9864453 0.74 GRIA4 (0.45) MAOAMAOBPLA2G1BATG4BMAPT
SCHEMBL9864520 0.69 GRIA4 (0.37) MAPTALDH1A1KDM4EHPGDKMT2A
SCHEMBL7861798 0.68 MAOA (0.56) MAOAMAOBPLA2G1BATG4BMAPT
SCHEMBL9865758 0.67 GRM6 (0.32) ALDH1A1
SCHEMBL5074837 0.66 ALDH1A1 (0.55) MAOAMAOBPLA2G1BATG4BMAPT
SCHEMBL30071586 0.66 ALDH1A1 (0.55) MAOAMAOBPLA2G1BATG4BMAPT
SCHEMBL8996605 0.66 MAOA (0.41) MAOAMAOBPLA2G1BATG4BMAPT
SCHEMBL11326735 0.66 MAOA (0.44) MAOAMAOBPLA2G1BATG4BMAPT
SCHEMBL9865446 0.64 MAOA (0.50) MAOAMAOBPLA2G1BATG4BMAPT
SCHEMBL9865044 0.64 MAPT (0.36) MAOAMAOBPLA2G1BATG4BMAPT

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