SCHEMBL8602802

SCHEMBL8602802

CC(C)Oc1cc(-n2nn[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL27430734 0.81 DHODH (0.32) PPOXCYP2C9DHODH
SCHEMBL10469088 0.79 PPOX (0.47) PPOXMEN1KMT2ANR1I2TDP1
SCHEMBL7021091 0.78 ALDH1A1 (0.35) PPOXMEN1KMT2AMAPTGAA
SCHEMBL10459437 0.78 PPOX (0.46) PPOXMEN1KMT2ANR1I2TDP1
SCHEMBL9730064 0.78 PPOX (0.40) PPOXMEN1KMT2ANR1I2CYP2C9
SCHEMBL9834941 0.78 PPOX (0.52) PPOXMEN1KMT2ANR1I2TDP1
SCHEMBL15322941 0.77 P2RX7 (0.41) P2RX3P2RX7
SCHEMBL9297111 0.77 CYP11B2 (0.44) PPOXMEN1KMT2ANR1I2TDP1
SCHEMBL8602652 0.77 LMNA (0.49) PPOXMEN1KMT2ATDP1MAPT
SCHEMBL14303094 0.75 PPOX (0.47) PPOXMEN1KMT2ANR1I2TDP1

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