SCHEMBL8687166

SCHEMBL8687166

O=c1[nH]nnn1-c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRL1 P41146 4/20 0.40
SCN5A Q14524 2/20 0.39
LCAT P04180 1/20 0.38
CES1 P23141 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
NOTUM Q6P988 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.34
OPRM1 P35372 3/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
MGAT2 Q10469 2/20 0.32
MOGAT2 Q3SYC2 2/20 0.32
PRMT5 O14744 1/20 0.32

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
SCHEMBL5905912 0.80 L3MBTL1 (0.55) POLBL3MBTL1SCN5ACES1TRPM8
SCHEMBL8601018 0.78 MAPT (0.45) POLBL3MBTL1ABL1LMNA
SCHEMBL5906108 0.73 PIM1 (0.43) POLBL3MBTL1NOTUMRXRAGRIN1
SCHEMBL16490991 0.70 POLB (0.39) POLBL3MBTL1SCN5ATRPM8NOTUM
SCHEMBL5906114 0.69 HCAR1 (0.47) POLBL3MBTL1
SCHEMBL8718585 0.68 L3MBTL1 (0.42) POLBL3MBTL1SCN5ATRPM8MGAT2
SCHEMBL8720958 0.68 PRMT1 (0.41) POLBL3MBTL1SCN5ATRPM8MGAT2
SCHEMBL1472886 0.67 SCN9A (0.49) OPRL1LCATABL1
SCHEMBL8686617 0.66 RAB9A (0.45) POLBL3MBTL1ABL1GRIN1GRIN2B
SCHEMBL9294622 0.66 EPHX2 (0.40) POLBL3MBTL1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710278-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1998-01-20 US disclosed
US-5641727-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US disclosed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP disclosed