SCHEMBL5216669

SCHEMBL5216669

CC(C)(C)NC(=O)c1cnncc1CCO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
APEX1 P27695 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 5/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ANO1 Q5XXA6 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
SCHEMBL5216952 0.70 HPGD (0.57) APEX1KMT2AKDM4EALDH1A1GLA
SCHEMBL4919055 0.69 MAPT (0.41) POLBAPEX1MAPTMEN1KMT2A
SCHEMBL1423962 0.65 RAB9A (0.42) POLBAPEX1MAPTMEN1KMT2A
SCHEMBL25071114 0.65 POLB (0.47) POLBAPEX1MAPTKDM4E
SCHEMBL28577924 0.65 LMNA (0.56) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14721532 0.63 POLB (0.39) POLBAPEX1MAPTMEN1KMT2A
SCHEMBL6748722 0.63 MAPT (0.61) POLBAPEX1MAPTMEN1KMT2A
SCHEMBL13669850 0.62 MAPT (0.51) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6415026 0.62 HCAR2 (0.52) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31175073 0.60 POLB (0.46) POLBAPEX1MAPTMEN1KMT2A

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-1763303-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF Bayer CropScience Aktiengesellschaft (DE) 2007-03-21 EP disclosed
WO-2006000333-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-01-05 WO disclosed