SCHEMBL8599863

SCHEMBL8599863

O=c1[nH]nnn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL8686428 0.86 OPRL1 (0.39) GAAATML3MBTL1RECQLPOLB
SCHEMBL8689003 0.81 MEN1 (0.38) RECQLKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8599859 0.76 MARS1 (0.39) ATML3MBTL1KMT2AALDH1A1MEN1
SCHEMBL11205040 0.73 KMT2A (0.65) GAAATML3MBTL1RECQLPOLB
SCHEMBL8977289 0.73 NPSR1 (0.46) GAAATML3MBTL1KMT2AMAPT
SCHEMBL8601018 0.72 MAPT (0.45) GAAL3MBTL1POLBKMT2AMAPT
SCHEMBL8603507 0.72 RPS6KA5 (0.35)
SCHEMBL2161149 0.71 HTT (0.42) GAAL3MBTL1POLBKMT2AMAPT
SCHEMBL8184305 0.70 ALDH1A1 (0.50) GAAATML3MBTL1RECQLPOLB
SCHEMBL7896709 0.70 BCAT2 (0.48) GAAATML3MBTL1RECQLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
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-0643049-B1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1997-05-14 EP disclosed
US-5502204-A REACTING WITH ETHYLENE OXIDE DERIVATIVE NIHON BAYER AGROCHEM K.K. (JP) 1996-03-26 US disclosed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed
EP-0643049-A1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-03-15 EP disclosed