SCHEMBL8601018

SCHEMBL8601018

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 2/20 0.45
APAF1 O14727 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL8687166 0.78 POLB (0.41) L3MBTL1LMNAABL1POLB
SCHEMBL2161285 0.78 ATM (0.47) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL8686428 0.75 OPRL1 (0.39) MAPTSMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL5906042 0.74 ATM (0.44) KDM4ETDP1TRPV1
SCHEMBL8599863 0.72 GAA (0.49) MAPTSMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL5906327 0.72 HSP90AA1 (0.39) MAPTALDH1A1KMT2AHTT
SCHEMBL2161149 0.71 HTT (0.42) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL8977289 0.71 NPSR1 (0.46) MAPTSMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL8599859 0.71 MARS1 (0.39) ALDH1A1L3MBTL1KMT2AHTTCNR1
SCHEMBL2161237 0.70 HTT (0.58) MAPTSMN1; SMN2ALDH1A1TDP1L3MBTL1

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