SCHEMBL10688342

SCHEMBL10688342

CCOC(=O)c1c(C(F)(F)F)nc(C(F)F)c(N)c1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FHIT P49789 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GABRP O00591 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
SCHEMBL9588985 0.90 KDM4E (0.43) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726388 0.88 KDM4E (0.41) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9668675 0.87 KDM4E (0.46) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726407 0.86 KDM4E (0.41) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL10369986 0.86 KDM4E (0.47) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726327 0.85 KDM4E (0.39) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL6731647 0.85 ADORA3 (0.41) KDM4EIDO1LMNAALDH1A1HPGD
SCHEMBL27693055 0.84 MAPK1 (0.32) KDM4EMAPK1
SCHEMBL9726329 0.83 SMN1; SMN2 (0.41) KDM4EIDO1LMNAALDH1A1HPGD
SCHEMBL28845147 0.82 ADORA3 (0.41) KDM4EIDO1LMNAALDH1A1HPGD

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-0258201-A1 5-Sulfur substituted pyridine monocarboxylic herbicides Monsanto Company (US) 1988-03-02 EP disclosed