SCHEMBL8600103

SCHEMBL8600103

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
FFAR1 O14842 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
RHEB Q15382 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
NPBWR1 P48145 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GRM4 Q14833 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
PGR P06401 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
HSPA5 P11021 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
SCHEMBL8601024 0.84 FFAR1 (0.47) FFAR1MEN1KMT2ANPBWR1TTR
SCHEMBL8602729 0.80 LMNA (0.58) MEN1KMT2ANPBWR1LMNAMAPT
SCHEMBL5905977 0.79 GAA (0.42) MEN1KMT2ANPC1LMNAADORA3
SCHEMBL15546777 0.77 CYP2C9 (0.54) CYP1A1CYP1A2CYP1B1FFAR1NPC1
SCHEMBL8603740 0.74 NPBWR1 (0.47) MEN1KMT2ANPBWR1LMNA
SCHEMBL8599860 0.73 TLR8 (0.49) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL9297111 0.73 CYP11B2 (0.44) CYP1A2MEN1KMT2ANR1I2LMNA
SCHEMBL5905991 0.73 NOTUM (0.38) MAPT
SCHEMBL11594023 0.72 MGLL (0.56) CYP1A1CYP1A2CYP1B1FFAR1MRGPRX4
SCHEMBL3438989 0.72 MAPT (0.62) CYP1A2FFAR1MRGPRX4MEN1KMT2A

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