SCHEMBL9726329

SCHEMBL9726329

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
IGF1R P08069 1/20 0.38
KDM4E B2RXH2 4/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 4/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA3 P0DMS8 2/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
LMNA P02545 2/20 0.33
RORC P51449 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 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
SCHEMBL9726388 0.86 KDM4E (0.41) IGF1RKDM4EMAPTPOLBKMT2A
SCHEMBL10688342 0.83 KDM4E (0.44) SMN1; SMN2KDM4EMAPTPOLBKMT2A
SCHEMBL9726327 0.83 KDM4E (0.39) KDM4EMAPTPOLBKMT2AADORA3
SCHEMBL6731647 0.83 ADORA3 (0.41) SMN1; SMN2KDM4EMAPTPOLBKMT2A
SCHEMBL9726407 0.82 KDM4E (0.41) SMN1; SMN2KDM4EMAPTPOLBKMT2A
SCHEMBL28845147 0.81 ADORA3 (0.41) SMN1; SMN2KDM4EMAPTPOLBKMT2A
SCHEMBL9726274 0.80 ALDH1A1 (0.39) KDM4EMAPTPOLBKMT2AADORA3
SCHEMBL9726370 0.79 KDM4E (0.40) SMN1; SMN2KDM4EMAPTPOLBKMT2A
SCHEMBL9726286 0.79 KDM4E (0.40) KDM4EMAPTPOLBKMT2AADORA3
SCHEMBL9726378 0.79 KDM4E (0.48) SMN1; SMN2KDM4EMAPTPOLBKMT2A

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