SCHEMBL7969716

SCHEMBL7969716

CC(C)(F)c1nc(N)nc(NCCOc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
IDH1 O75874 1/20 0.42
IDH2 P48735 1/20 0.42
HTR1B P28222 2/20 0.41
HTR1D P28221 1/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL8256396 0.90 HTR7 (0.58) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL8217064 0.88 HTR7 (0.49) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL27511379 0.87 HTR7 (0.47) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7956908 0.84 HTR7 (0.42) HTR7ADRA1DADRA1AADRA1B
SCHEMBL27605028 0.84 HTR7 (0.42) HTR7ADRA1DADRA1AADRA1B
SCHEMBL7970120 0.84 HTR7 (0.47) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL9300436 0.84 SCN9A (0.45) HTR7ADRA1DADRA1AADRA1BMAPT
SCHEMBL32675860 0.84 HTR7 (0.69) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL32675853 0.84 HTR7 (0.73) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7126204 0.82 HTR7 (0.50) HTR7ADRA1DADRA1AADRA1BALDH1A1

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
WO-2000078737-A2 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
WO-2000078737-A3 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AG (DE) 2001-04-26 WO disclosed
WO-2000078737-A2 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed
WO-2000078737-A2 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed