SCHEMBL8310208

SCHEMBL8310208

CCc1ncnc(OCC(=O)NC(C)(C#N)C(C)C)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
ANO1 Q5XXA6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL8097370 0.71 MAP3K8 (0.41) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL8107127 0.68 KDM4E (0.43) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL7220666 0.64 L3MBTL1 (0.57) ALDH1A1KMT2ALMNAHPGDANO1
SCHEMBL8602879 0.64 SCN4A (0.34) LMNACYP1A2CYP2C9
SCHEMBL13527326 0.63 SMN1; SMN2 (0.37) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL8112538 0.61 ALDH1A1 (0.39) KDM4EALDH1A1KMT2ALMNAHPGD
Ammonia Solution, Strong SCHEMBL8602882 0.61 KDM4E (0.37) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7215966 0.61 KMT2A (0.46) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL8650988 0.61 ANO1 (0.46) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL14609698 0.60 ANO1 (0.42) KDM4EALDH1A1KMT2ALMNAHPGD

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
EP-0940392-A1 PYRIMIDINYLOXYALKANOIC AMIDE DERIVATIVES AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE KumaiI Chemical Industry Co., Ltd. (JP) 1999-09-08 EP disclosed