SCHEMBL4460639

SCHEMBL4460639

N#Cc1cnn(-c2ccc(C=O)cc2C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.32
SCN9A Q15858 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM2 Q14416 1/20 0.32
ALDH1A3 P47895 2/20 0.31
CREBBP Q92793 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1609801 0.84 KDM4E (0.33) EGLN1ALDH1A1MEN1MAPTKMT2A
SCHEMBL1609800 0.84 KDM4E (0.33) EGLN1ALDH1A1MEN1MAPTKMT2A
SCHEMBL1612371 0.81 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL21753378 0.78 ALDH1A1 (0.47) SCN9ACYP11B1CYP11B2ALDH1A1SMN1; SMN2
SCHEMBL1610377 0.76 ALDH1A1 (0.54) CYP11B1CYP11B2ALDH1A1MEN1GAA
SCHEMBL20168317 0.74 KCNJ1 (0.49) EGLN1CYP11B1CYP11B2ALDH1A1
SCHEMBL1611233 0.73 KCNJ1 (0.54) ALDH1A1MEN1KMT2A
SCHEMBL23910013 0.73 ALDH1A1 (0.52) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL21077740 0.72 ALDH1A1 (0.34) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL31055053 0.72 CREBBP (0.41) MAPTCREBBPSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed