SCHEMBL9726302

SCHEMBL9726302

CCCc1c(C#N)c(C(F)F)nc(C(F)(F)F)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 7/20 0.37
MAPT P10636 3/20 0.37
GLA P06280 1/20 0.36
POLB P06746 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
BRCA1 P38398 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9726274 0.91 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EMAPTGLA
SCHEMBL9726286 0.86 KDM4E (0.40) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9588985 0.83 KDM4E (0.43) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9726357 0.82 KDM4E (0.37) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9726388 0.78 KDM4E (0.41) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL10688342 0.75 KDM4E (0.44) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL6731647 0.75 ADORA3 (0.41) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9189663 0.75 KDM4E (0.39) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9726327 0.75 KDM4E (0.39) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9726369 0.75 KDM4E (0.39) L3MBTL1ALDH1A1KDM4EMAPTPOLB

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