SCHEMBL8256396

SCHEMBL8256396

Nc1nc(NCCOc2ccccc2)nc(C(F)(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.58
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
IDH1 O75874 1/20 0.43
IDH2 P48735 1/20 0.43

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
SCHEMBL7969716 0.90 HTR7 (0.59) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL32675853 0.86 HTR7 (0.73) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL32675860 0.86 HTR7 (0.69) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL8021955 0.80 HTR7 (0.53) HTR7TSHRALDH1A1HPGDLMNA
SCHEMBL8217064 0.78 HTR7 (0.49) HTR7ADRA1DADRA1AADRA1BTSHR
SCHEMBL11819405 0.77 NPSR1 (0.59) TSHR
SCHEMBL27511379 0.77 HTR7 (0.47) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7155922 0.76 HTR7 (0.60) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL8070478 0.74 TSHR (0.43) HTR7ADRA1DADRA1AADRA1BTSHR
SCHEMBL9300436 0.74 SCN9A (0.45) HTR7ADRA1DADRA1AADRA1BLMNA

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 1 patent. 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 disclosed