SCHEMBL8601024

SCHEMBL8601024

O=c1[nH]nnn1-c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.47
NPBWR1 P48145 4/20 0.43
MCHR1 Q99705 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN8A Q9UQD0 5/20 0.39
SCN10A Q9Y5Y9 5/20 0.39
ESRRA P11474 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 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
SCHEMBL8603740 0.86 NPBWR1 (0.47) NPBWR1MCHR1MEN1KMT2A
SCHEMBL8600103 0.84 CYP1A1 (0.43) FFAR1NPBWR1MEN1KMT2ATTR
SCHEMBL2161285 0.78 ATM (0.47) NPBWR1TDP1RAB9AL3MBTL1
SCHEMBL11095176 0.77 FFAR1 (0.65) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL8599859 0.76 MARS1 (0.39) MEN1KMT2AL3MBTL1
SCHEMBL5905991 0.76 NOTUM (0.38) L3MBTL1
SCHEMBL5906042 0.75 ATM (0.44) TDP1
SCHEMBL8977289 0.74 NPSR1 (0.46) MEN1KMT2AL3MBTL1
SCHEMBL10969511 0.73 FFAR1 (0.46) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL8684464 0.73 FFAR1 (0.61) FFAR1MEN1KMT2ATTRPPOX

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 6 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
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-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