SCHEMBL9588985

SCHEMBL9588985

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
FHIT P49789 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
SCHEMBL10688342 0.90 KDM4E (0.44) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726286 0.89 KDM4E (0.40) KDM4EIDO1LMNAPKMHSP90AA1
SCHEMBL9668675 0.85 KDM4E (0.46) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726357 0.85 KDM4E (0.37) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL10369986 0.84 KDM4E (0.47) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726302 0.83 L3MBTL1 (0.42) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL9726388 0.81 KDM4E (0.41) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726407 0.80 KDM4E (0.41) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL10457230 0.79 KDM4E (0.39) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726327 0.78 KDM4E (0.39) KDM4EIDO1LMNAPKMHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196045-A Substituted pyridine herbicides MONSANTO COMPANY (US) 1993-03-23 US disclosed
US-5019153-A Substituted pyridine herbicides MONSANTO COMPANY (US) 1991-05-28 US disclosed
US-4885026-A FLUORINE-CONTAINING METHYL GROUP AT THE 2- OR 6-POSITION; PRE- AND POSTEMERGENT MONSANTO COMPANY (US) 1989-12-05 US disclosed
EP-0252055-A1 Substituted pyridine herbicides Monsanto Company (US) 1988-01-07 EP disclosed