SCHEMBL8689003

SCHEMBL8689003

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
PABPC1 P11940 1/20 0.38
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 2/20 0.33
PARP1 P09874 1/20 0.31
TNK1 Q13470 1/20 0.31
RECQL P46063 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX7 Q99572 1/20 0.31
CA12 O43570 1/20 0.30

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
SCHEMBL8599863 0.81 GAA (0.49) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8603507 0.77 RPS6KA5 (0.35)
SCHEMBL8687317 0.74 HSD11B1 (0.35)
SCHEMBL8602729 0.73 LMNA (0.58) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8599860 0.72 TLR8 (0.49) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL5906130 0.72 NPSR1 (0.35) TSHR
SCHEMBL8977258 0.70 MAPT (0.44) KDM4EMAPTHTTTLR8
SCHEMBL9730328 0.69 HCAR1 (0.38) TLR8
SCHEMBL8688847 0.69 ADRB2 (0.38)
SCHEMBL8686428 0.68 OPRL1 (0.39) MEN1KMT2AALDH1A1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP disclosed