SCHEMBL8977258

SCHEMBL8977258

O=c1[nH]nnn1-c1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HTT P42858 2/20 0.42
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
TLR8 Q9NR97 1/20 0.40
OPRM1 P35372 1/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE2A O00408 1/20 0.39
NOTUM Q6P988 1/20 0.39
ADRA1B P35368 2/20 0.38
PDE9A O76083 1/20 0.37
HTR1A P08908 1/20 0.37
ESR1 P03372 1/20 0.36

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
SCHEMBL8599860 0.88 TLR8 (0.49) MAPTHTTCDK4CCND1TLR8
SCHEMBL19554366 0.83 CTDSP1 (0.49) MAPTTLR8
SCHEMBL9730328 0.82 HCAR1 (0.38) TLR8NOTUM
SCHEMBL8977289 0.82 NPSR1 (0.46) MAPTHTTCDK4CCND1KDM4E
SCHEMBL5905865 0.81 MGLL (0.43) MAPTCDK4CCND1KDM4E
SCHEMBL1944383 0.81 HTT (0.47) MAPTHTTADRA1B
SCHEMBL19554375 0.79 LMNA (0.51) MAPTL3MBTL1
SCHEMBL9730122 0.78 GRIN2D (0.41) HTTTLR8L3MBTL1
SCHEMBL10369675 0.77 HSP90AA1 (0.40) TLR8
SCHEMBL8686630 0.77 TIPARP (0.37)

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
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed