SCHEMBL8069371

SCHEMBL8069371

COC(=O)c1ccccn1.COc1ccc(C(=O)O)nc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
PPP1CA P62136 1/20 0.54
KMT2A Q03164 1/20 0.54
P2RY1 P47900 9/20 0.47
BRAF P15056 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7108352 0.88 MAPT (0.53) MAPTPPP1CAKMT2AP2RY1BRAF
SCHEMBL7106274 0.87 MAPT (0.67) MAPTPPP1CAKMT2AP2RY1BRAF
SCHEMBL9122123 0.72 TDP1 (0.66) MAPTKMT2AP2RY1KDM4E
SCHEMBL7528425 0.72 MAPT (1.00) MAPTP2RY1KDM4E
SCHEMBL8340364 0.71 P2RY1 (0.59) MAPTKMT2AP2RY1KDM4E
SCHEMBL7110619 0.70 MAPT (0.74) MAPTKDM4E
SCHEMBL8721822 0.70 MAPT (0.50) MAPTKMT2AP2RY1KDM4E
Trifluoroacetic Acid SCHEMBL27604316 0.68 MAPT (0.56) MAPTKMT2ATLR7KDM4ESMN1; SMN2
SCHEMBL30166677 0.68 MEN1 (0.63) KMT2AP2RY1KDM4E
SCHEMBL2333429 0.68 MEN1 (0.63) KMT2AP2RY1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159901-A 6-phenoxy picolinic acid alkylidene hydrazide derivative, process for producing the same and herbicide using the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-12 US disclosed
EP-1020444-A1 6-PHENOXYPICOLINIC ACID, ALKYLIDENEHYDRAZIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP disclosed