SCHEMBL8562213

SCHEMBL8562213

FC(F)c1ncc(C(C2CC2)N2CCOCC2)c(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.36
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
PIK3CA P42336 4/20 0.31
MTOR P42345 4/20 0.31
DPP4 P27487 1/20 0.31
MAPT P10636 2/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8558953 0.75
SCHEMBL8562383 0.74 IDO1 (0.33)
SCHEMBL8562202 0.69
SCHEMBL26598773 0.65
SCHEMBL8566402 0.63 APLNR (0.33)
SCHEMBL16460219 0.60 ALDH1A1 (0.54) P2RX7KDM4EALDH1A1
SCHEMBL16460115 0.60 P2RX7 (0.51) P2RX7DPP4
SCHEMBL8560094 0.60 P2RX7 (0.36) P2RX7
SCHEMBL8561982 0.60
SCHEMBL8561818 0.59 APLNR (0.30)

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-5716904-A FOR BROARD LEAF WEEDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP disclosed