SCHEMBL6567338

SCHEMBL6567338

N#CN=C1NCCN1CCc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.36
DAO P14920 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CHRNA7 P36544 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33

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
SCHEMBL244644 0.76 CYP2C9 (0.43) ALDH1A1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL244643 0.76 CYP2C9 (0.43) ALDH1A1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL19975726 0.74 CHRNA7 (0.61) ALDH1A1KMT2AMEN1CHRNA7TDP1
SCHEMBL5833216 0.74 CHRNA7 (0.61) ALDH1A1KMT2AMEN1CHRNA7TDP1
SCHEMBL5833213 0.74 CHRNA7 (0.61) ALDH1A1KMT2AMEN1CHRNA7TDP1
SCHEMBL10576694 0.72 POLB (0.34) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL10576697 0.72 POLB (0.34) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL4543147 0.71 MEN1 (0.33) KMT2AMEN1
SCHEMBL4543149 0.71 MEN1 (0.33) KMT2AMEN1
SCHEMBL9765457 0.70 MEN1 (0.33) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399421-A1 SUBSTITUTED IMIDATES AS PESTICIDAL AGENTS Bayer CropScience AG (DE) 2004-03-24 EP disclosed
WO-2002096872-A1 SUBSTITUTED IMIDATES AS PESTICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-12-05 WO disclosed