SCHEMBL9726274

SCHEMBL9726274

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 8/20 0.38
MAPT P10636 4/20 0.38
GLA P06280 1/20 0.37
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
BRCA1 P38398 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
IDO1 P14902 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9726302 0.91 L3MBTL1 (0.42) ALDH1A1KDM4EMAPTGLAPOLB
SCHEMBL9726388 0.85 KDM4E (0.41) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL9726327 0.82 KDM4E (0.39) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL6731647 0.82 ADORA3 (0.41) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL10688342 0.82 KDM4E (0.44) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL9726407 0.81 KDM4E (0.41) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL9726329 0.80 SMN1; SMN2 (0.41) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL28845147 0.80 ADORA3 (0.41) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL3591480 0.79 POLB (0.38) ALDH1A1KDM4EMAPTGLAPOLB
SCHEMBL9830074 0.78 KDM5B (0.34) MAPTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US disclosed
US-4978384-A HERBICIDES MONSANTO COMPANY (US) 1990-12-18 US disclosed
US-4826530-A PREEEMERGENCE AND SELECTIVE POSTEMEREGENCE HERBICIDES MONSANTO COMPANY (US) 1989-05-02 US disclosed
US-4692184-A HERBICIDES MONSANTO COMPANY (US) 1987-09-08 US disclosed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP disclosed